23668198
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
16
11
8
8
8
7
7
7
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
2
1
3
-1
1
1
1
1
2
6
6
6
7
7
9
9
10
10
11
11
12
12
13
14
15
15
15
16
16
16
3
4
5
8
3
9
15
16
8
12
10
11
13
17
14
18
13
14
19
20
21
22
23
24
25
26
1
2
2
1
7
1
1
1
2
1
2
1
1
1
2
1
2
1
1
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
3
2.134
3
2
4
3.866
3.866
3
3.866
3
4.732
3.866
3
4.732
4.732
3
2.4631
5.269
2.4631
5.269
5.042
5.269
4.422
3.31
2.4631
2.69
-2.25
-3.75
-3.25
-2.25
-2.25
3.25
-0.75
-1.25
2.25
1.75
1.75
0.25
0.75
0.75
3.75
3.75
2.06
2.06
0.44
0.44
3.2131
4.06
4.2869
4.2869
4.06
3.2131
8
8
8
8
8
8
9
9
10
11
12
12
10
11
13
14
13
14
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
318
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C0733020400000000000000000000000000000000000300000000000000000010000001C0008400000080881100432C083000000820024424030820000210200088800086488082022C0919184200860800048C8071000000000008000000000000001000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
IWDQPCIQCXRBQP-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
251.034056
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C8H10N3NaO3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
251.238069
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
93.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
251.034056
16
0
0
0
0
0
0
0
2
1