N-(4-methyl-2-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-methyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(4-methyl-2-nitro-phenyl)isonipecotamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-7-8-17(18(13-14)22(24)25)20-19(23)15-9-11-21(12-10-15)28(26,27)16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,20,23)