[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C22H28N2O7S/c1-5-16-8-6-7-15(2)22(16)24-20(25)14-31-21(26)11-12-23-32(27,28)17-9-10-18(29-3)19(13-17)30-4/h6-10,13,23H,5,11-12,14H2,1-4H3,(H,24,25)