(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(6-methyl-2-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(6-methyl-2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(6-methyl-2-pyridyl)nipecotamide Formula: C16H18BrN3O3S2 MolecularWeight: 444.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H18BrN3O3S2/c1-11-4-2-6-14(18-11)19-16(21)12-5-3-9-20(10-12)25(22,23)15-8-7-13(17)24-15/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,18,19,21)/t12-/m0/s1