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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-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)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-6-4-15(12-17(18)22)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)