[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H21N3O6S2 MolecularWeight: 487.54864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

InChI

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