(3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-(o-tolylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-methyl-N-(2-methylbenzyl)nipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-17-7-4-5-8-18(17)15-23(2)22(25)19-9-6-14-24(16-19)29(26,27)21-12-10-20(28-3)11-13-21/h4-5,7-8,10-13,19H,6,9,14-16H2,1-3H3/t19-/m0/s1