60192931 -OEChem-03292411032D 53 56 0 1 0 0 0 0 0999 V2000 5.4641 1.2071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2071 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1712 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7570 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1712 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2494 -1.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5197 0.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4085 0.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 -0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 -1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8271 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 5 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 39 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 13 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 1 0 0 0 8 11 1 1 0 0 0 8 31 1 0 0 0 0 9 13 1 6 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 25 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 24 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END > 60192931 > 1 > 757 > 5 > 1 > 5 > AAADceB7MABAAAAAAAAAAAAAAABYAAAAAAAwYIAAAAAAAAABQAAAHgQASAAADSjh2AYwAYIAAgKQBiBCAHBCABAgAAAIiBgIAIgKsCKAkRGEYAAkgACYiA+wwPAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > (2S,3S,4S)-1-(benzenesulfonyl)-3-[2-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile > (2S,3S,4S)-1-(benzenesulfonyl)-3-[2-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile > (2S,3S,4S)-1-(benzenesulfonyl)-3-[2-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile > (2S,3S,4S)-1-(benzenesulfonyl)-3-[2-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile > (2S,3S,4S)-3-[2-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(phenylsulfonyl)azetidine-2-carbonitrile > (2S,3S,4S)-1-besyl-3-[2-(cyclohexen-1-yl)phenyl]-4-methylol-azetidine-2-carbonitrile > InChI=1S/C23H24N2O3S/c24-15-21-23(20-14-8-7-13-19(20)17-9-3-1-4-10-17)22(16-26)25(21)29(27,28)18-11-5-2-6-12-18/h2,5-9,11-14,21-23,26H,1,3-4,10,16H2/t21-,22-,23+/m1/s1 > KMTCVIQCKHHAAO-ZLNRFVROSA-N > 3.5 > 408.15076381 > C23H24N2O3S > 408.5 > C1CCC(=CC1)C2=CC=CC=C2C3C(N(C3C#N)S(=O)(=O)C4=CC=CC=C4)CO > C1CCC(=CC1)C2=CC=CC=C2[C@@H]3[C@H](N([C@@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO > 89.8 > 408.15076381 > 0 > 29 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 14 8 12 18 8 14 20 8 15 25 8 15 26 8 18 24 8 20 24 8 25 27 8 26 28 8 27 29 8 28 29 8 7 30 5 8 11 5 9 13 6 $$$$