N-(3-methylsulfanylphenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[(4-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(4-nitrobenzoyl)isonipecotamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-28-18-4-2-3-16(13-18)21-19(24)14-9-11-22(12-10-14)20(25)15-5-7-17(8-6-15)23(26)27/h2-8,13-14H,9-12H2,1H3,(H,21,24)