N-(3-methylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(3-methylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(3-methylsulfonylphenyl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(3-mesylphenyl)-1-(2-nitrophenyl)isonipecotamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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