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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

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