N-(2-methyl-5-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(2-methyl-5-nitro-phenyl)isonipecotamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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