[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C22H26ClNO8S MolecularWeight: 499.96174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H26ClNO8S/c1-5-29-18-10-14(11-19(30-6-2)21(18)31-7-3)22(26)32-13-20(25)24-17-12-15(33(4,27)28)8-9-16(17)23/h8-12H,5-7,13H2,1-4H3,(H,24,25)