[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C22H27N3O6S/c1-5-17-8-6-7-15(2)22(17)24-20(27)14-31-21(28)13-25(4)32(29,30)19-11-9-18(10-12-19)23-16(3)26/h6-12H,5,13-14H2,1-4H3,(H,23,26)(H,24,27)