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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

InChI

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