N-(5-bromanylpyridin-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-tosyl-nipecotamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

InChI

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