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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-14-6-7-16(11-18(14)22)23-21(25)15-5-4-10-24(13-15)30(26,27)17-8-9-19(28-2)20(12-17)29-3/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25)