(3S)-1-(4-bromophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-bromophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-brosyl-N-(5-methyl-2-pyridyl)nipecotamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c1-13-4-9-17(20-11-13)21-18(23)14-3-2-10-22(12-14)26(24,25)16-7-5-15(19)6-8-16/h4-9,11,14H,2-3,10,12H2,1H3,(H,20,21,23)/t14-/m0/s1