(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-ethanoylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-ethanoylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(2-acetylphenyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-(2-acetylphenyl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-acetylphenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-acetylphenyl)-1-[(5-bromo-2-thienyl)sulfonyl]nipecotamide Formula: C18H19BrN2O4S2 MolecularWeight: 471.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O4S2/c1-12(22)14-6-2-3-7-15(14)20-18(23)13-5-4-10-21(11-13)27(24,25)17-9-8-16(19)26-17/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,20,23)/t13-/m0/s1