(3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,4-dimethylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-nipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)C)OC)C

InChI

InChI=1S/C22H28N2O4S/c1-15-7-9-19(17(3)12-15)23-22(25)18-6-5-11-24(14-18)29(26,27)21-13-16(2)8-10-20(21)28-4/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H,23,25)/t18-/m0/s1