[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]benzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 2-(brosylamino)benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C27H25BrN4O6S MolecularWeight: 613.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H25BrN4O6S/c1-17-24(26(34)32(31(17)3)20-9-5-4-6-10-20)29-25(33)18(2)38-27(35)22-11-7-8-12-23(22)30-39(36,37)21-15-13-19(28)14-16-21/h4-16,18,30H,1-3H3,(H,29,33)