N-(5-chloranyl-2-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-6-4-15(22)12-17(18)23-21(25)14-8-10-24(11-9-14)31(26,27)16-5-7-19(29-2)20(13-16)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)