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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

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