N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[[3-(p-tolylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide CAS Name: N-[[3-[(4-methylphenyl)methyl]-2-imidazo[4,5-b]pyridinyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-3-nitrobenzenesulfonamide Traditional Name: N-[[3-(4-methylbenzyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-nitro-benzenesulfonamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-15-7-9-16(10-8-15)14-25-20(24-19-6-3-11-22-21(19)25)13-23-31(29,30)18-5-2-4-17(12-18)26(27)28/h2-12,23H,13-14H2,1H3