N-(2-methyl-3-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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