1-(5-methylsulfanyl-2-nitro-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-(5-methylsulfanyl-2-nitro-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(5-methylsulfanyl-2-nitro-benzoyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[5-(methylthio)-2-nitrophenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(5-methylsulfanyl-2-nitrobenzoyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[5-(methylthio)-2-nitro-benzoyl]-N-phenyl-nipecotamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

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