N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(4-chlorobenzoyl)nipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H22ClN3O3S/c22-16-9-7-14(8-10-16)21(28)25-11-3-4-15(12-25)20(27)24-17-5-1-2-6-18(17)29-13-19(23)26/h1-2,5-10,15H,3-4,11-13H2,(H2,23,26)(H,24,27)