(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(m-tolyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(3-methylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(m-tolyl)nipecotamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15-6-4-8-18(12-15)22-21(24)17-7-5-11-23(14-17)28(25,26)20-13-16(2)9-10-19(20)27-3/h4,6,8-10,12-13,17H,5,7,11,14H2,1-3H3,(H,22,24)/t17-/m0/s1