N-(2-bromanyl-4-methyl-phenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Br

InChI

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