(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(1S)-1-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-[(1S)-1-(2-pyridyl)ethyl]nipecotamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3O3S2/c1-12(14-6-2-3-9-19-14)20-17(22)13-5-4-10-21(11-13)26(23,24)16-8-7-15(18)25-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,22)/t12-,13-/m0/s1