N-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-nitro-benzenesulfonamide Formula: C16H17N5O6S2 MolecularWeight: 439.46608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N=C1N

InChI

InChI=1S/C16H17N5O6S2/c1-10(2)29(26,27)20-15-8-11(6-7-14(15)18-16(20)17)19-28(24,25)13-5-3-4-12(9-13)21(22)23/h3-10,19H,1-2H3,(H2,17,18)