(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[2-(methylthio)phenyl]nipecotamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-26-18-7-3-2-6-17(18)21-19(23)14-5-4-12-22(13-14)27(24,25)16-10-8-15(20)9-11-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m0/s1