(3S)-N-(3-chloranyl-4-cyano-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-cyano-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-cyano-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-cyanophenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-cyano-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-28-17-6-8-18(9-7-17)29(26,27)24-10-2-3-15(13-24)20(25)23-16-5-4-14(12-22)19(21)11-16/h4-9,11,15H,2-3,10,13H2,1H3,(H,23,25)/t15-/m0/s1