(3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(o-tolyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[(1S)-1-(o-tolyl)ethyl]nipecotamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-15-6-3-4-8-20(15)16(2)23-21(25)17-7-5-13-24(14-17)28(26,27)19-11-9-18(22)10-12-19/h3-4,6,8-12,16-17H,5,7,13-14H2,1-2H3,(H,23,25)/t16-,17-/m0/s1