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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]nipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-15(19-7-3-4-8-20(19)28-2)23-21(25)16-6-5-13-24(14-16)29(26,27)18-11-9-17(22)10-12-18/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3,(H,23,25)/t15-,16-/m0/s1