[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H23BrN2O5S2 MolecularWeight: 599.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C27H23BrN2O5S2/c1-17-8-9-18(2)22(16-17)29-26(31)25(19-6-4-3-5-7-19)35-27(32)20-10-12-21(13-11-20)30-37(33,34)24-15-14-23(28)36-24/h3-16,25,30H,1-2H3,(H,29,31)