2-[(4-bromophenyl)sulfonylamino]-N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-butanamide Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-butanamide CAS Name: 2-[(4-bromophenyl)sulfonylamino]-N-(1-methyl-3-pyrazolyl)-4-(methylthio)butanamide IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-N-(1-methylpyrazol-3-yl)-4-methylsulfanylbutanamide Traditional Name: 2-(brosylamino)-N-(1-methylpyrazol-3-yl)-4-(methylthio)butyramide Formula: C15H19BrN4O3S2 MolecularWeight: 447.37036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN4O3S2/c1-20-9-7-14(18-20)17-15(21)13(8-10-24-2)19-25(22,23)12-5-3-11(16)4-6-12/h3-7,9,13,19H,8,10H2,1-2H3,(H,17,18,21)