N'-(1,3-benzothiazol-2-yl)-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine

Systemtic Name: N'-(1,3-benzothiazol-2-yl)-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine Openeye Name: N'-(1,3-benzothiazol-2-yl)-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)ethane-1,2-diamine CAS Name: N'-(1,3-benzothiazol-2-yl)-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]ethane-1,2-diamine IUPAC Name: N'-(1,3-benzothiazol-2-yl)-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)ethane-1,2-diamine Traditional Name: 1,3-benzothiazol-2-yl-[2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl]amine Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c25-24(26)17-13-14(30(27,28)23-11-3-4-12-23)7-8-15(17)20-9-10-21-19-22-16-5-1-2-6-18(16)29-19/h1-2,5-8,13,20H,3-4,9-12H2,(H,21,22)