N-(4-bromanyl-3-methyl-phenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(1-methylimidazol-4-yl)sulfonyl-nipecotamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(C=N3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(C=N3)C)Br

InChI

InChI=1S/C17H21BrN4O3S/c1-12-8-14(5-6-15(12)18)20-17(23)13-4-3-7-22(9-13)26(24,25)16-10-21(2)11-19-16/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,20,23)