1-(5-chloranyl-2-methoxy-phenyl)carbonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)carbonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(5-chloro-2-methoxy-benzoyl)-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(5-chloro-2-methoxyphenyl)-oxomethyl]-N-[4-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-chloro-2-methoxybenzoyl)-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-chloro-2-methoxy-benzoyl)-N-[4-(methylthio)phenyl]isonipecotamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23ClN2O3S/c1-27-19-8-3-15(22)13-18(19)21(26)24-11-9-14(10-12-24)20(25)23-16-4-6-17(28-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)