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

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[2-(2-thienyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2-thiophen-2-ylethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[2-(2-thienyl)ethyl]nipecotamide Formula: C16H19BrN2O3S3 MolecularWeight: 463.43266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=CS3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C16H19BrN2O3S3/c17-14-5-6-15(24-14)25(21,22)19-9-1-3-12(11-19)16(20)18-8-7-13-4-2-10-23-13/h2,4-6,10,12H,1,3,7-9,11H2,(H,18,20)/t12-/m0/s1