(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2-ethyl-6-methylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-ethyl-6-methyl-phenyl)nipecotamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C19H23BrN2O3S2/c1-3-14-7-4-6-13(2)18(14)21-19(23)15-8-5-11-22(12-15)27(24,25)17-10-9-16(20)26-17/h4,6-7,9-10,15H,3,5,8,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1