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

Systemtic Name: (3S)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-1-tosyl-nipecotamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O4S/c1-20-10-16-25(17-11-20)34(31,32)29-18-6-9-23(19-29)27(30)28-26(21-7-4-3-5-8-21)22-12-14-24(33-2)15-13-22/h3-5,7-8,10-17,23,26H,6,9,18-19H2,1-2H3,(H,28,30)/t23-,26+/m0/s1