(3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15-6-7-16(2)20(13-15)22-21(24)17-5-4-12-23(14-17)28(25,26)19-10-8-18(27-3)9-11-19/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,24)/t17-/m0/s1