5-bromanyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[1-(p-tolylsulfonyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(1-tosyl-4-piperidyl)nicotinamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-13-2-4-17(5-3-13)26(24,25)22-8-6-16(7-9-22)21-18(23)14-10-15(19)12-20-11-14/h2-5,10-12,16H,6-9H2,1H3,(H,21,23)