[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C22H21ClN2O5S2/c1-3-15-8-6-7-14(2)21(15)24-19(26)13-30-22(27)16-9-4-5-10-17(16)25-32(28,29)20-12-11-18(23)31-20/h4-12,25H,3,13H2,1-2H3,(H,24,26)