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

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-[2-(2-thienyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-[2-(2-thienyl)ethyl]nipecotamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S2/c19-15-5-7-17(8-6-15)26(23,24)21-11-1-3-14(13-21)18(22)20-10-9-16-4-2-12-25-16/h2,4-8,12,14H,1,3,9-11,13H2,(H,20,22)/t14-/m0/s1