N-[3-(benzimidazol-1-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C17H18N4O4S/c1-13-7-8-14(21(22)23)11-17(13)26(24,25)19-9-4-10-20-12-18-15-5-2-3-6-16(15)20/h2-3,5-8,11-12,19H,4,9-10H2,1H3