N-(3-chloranyl-4-methoxy-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-28-19-7-4-16(12-18(19)21)23-20(25)15-8-10-24(11-9-15)29(26,27)17-5-2-14(13-22)3-6-17/h2-7,12,15H,8-11H2,1H3,(H,23,25)