[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C22H21N3O6S2/c1-13-7-8-14(2)18(11-13)33(29,30)25-17-6-4-3-5-15(17)22(28)31-12-19(26)24-21-16(20(23)27)9-10-32-21/h3-11,25H,12H2,1-2H3,(H2,23,27)(H,24,26)