N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC)Cl

InChI

InChI=1S/C21H22ClN3O5S/c1-29-19-12-18(20(30-2)11-17(19)22)24-21(26)15-7-9-25(10-8-15)31(27,28)16-5-3-14(13-23)4-6-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,26)