(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-(o-tolyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(1S)-1-(2-methylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-(o-tolyl)ethyl]nipecotamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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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(S3)Br

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H23BrN2O3S2/c1-13-6-3-4-8-16(13)14(2)21-19(23)15-7-5-11-22(12-15)27(24,25)18-10-9-17(20)26-18/h3-4,6,8-10,14-15H,5,7,11-12H2,1-2H3,(H,21,23)/t14-,15-/m0/s1