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

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-phenethyl-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(S2)Br)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O3S2/c19-16-8-9-17(25-16)26(23,24)21-12-4-7-15(13-21)18(22)20-11-10-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,22)/t15-/m0/s1