4-[3-(benzimidazol-1-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-(benzimidazol-1-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(benzimidazol-1-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(1-benzimidazolyl)propylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(benzimidazol-1-yl)propylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(benzimidazol-1-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-18-27(25,26)13-7-8-15(17(11-13)22(23)24)19-9-4-10-21-12-20-14-5-2-3-6-16(14)21/h2-3,5-8,11-12,18-19H,4,9-10H2,1H3