N-(2-methylphenyl)-3-nitro-4-piperidin-1-yl-benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-3-nitro-4-piperidin-1-yl-benzenesulfonamide Openeye Name: 3-nitro-N-(o-tolyl)-4-(1-piperidyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-3-nitro-4-(1-piperidinyl)benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-3-nitro-4-piperidin-1-ylbenzenesulfonamide Traditional Name: 3-nitro-N-(o-tolyl)-4-piperidino-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-14-7-3-4-8-16(14)19-26(24,25)15-9-10-17(18(13-15)21(22)23)20-11-5-2-6-12-20/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3