217049 -OEChem-05231315202D 70 72 0 0 0 0 0 0 0999 V2000 9.7942 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 45 1 0 0 0 0 9 21 1 0 0 0 0 9 25 2 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 38 1 0 0 0 0 16 23 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 31 1 0 0 0 0 25 56 1 0 0 0 0 26 32 2 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 33 1 0 0 0 0 29 58 1 0 0 0 0 30 34 2 0 0 0 0 30 59 1 0 0 0 0 31 35 2 0 0 0 0 31 60 1 0 0 0 0 32 35 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 M CHG 1 9 1 M END > 217049 > 1 > 914 > 9 > 1 > 12 > AAADcfB7uABgAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHAQYQAAACAjBUgQ+wZNMEAKiADRnRHDCgDAxAiAI2Lw4ZJgIYOLAkZGUIAxgkADIyAcQAAAAAASAACAAAQAACQAAQAACAAAAAAAAAA== > 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide > 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-[2-(1-pyridin-1-iumyl)ethyl]benzenesulfonamide > 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide > 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide > 5-(diethylamino)-2-[4-(dimethylsulfamoyl)phenyl]azo-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide > InChI=1S/C25H33N6O4S2/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3/q+1 > DLIRUVZALPTEMG-UHFFFAOYSA-N > 3.4 > 545.200471 > C25H33N6O4S2+ > 545.69732 > CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3 > CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3 > 132 > 545.200471 > 1 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 13 15 8 13 20 8 14 15 8 14 19 8 19 22 8 20 22 8 25 31 8 26 32 8 27 29 8 27 30 8 28 33 8 28 34 8 29 33 8 30 34 8 31 35 8 32 35 8 9 25 8 9 26 8 $$$$