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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-14-12-16(22)4-6-18(14)23-21(25)15-8-10-24(11-9-15)30(26,27)17-5-7-19(28-2)20(13-17)29-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)