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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-17-7-5-6-16(3)21(17)23-19(24)14-28-20(25)12-13-22-29(26,27)18-10-8-15(2)9-11-18/h5-11,22H,4,12-14H2,1-3H3,(H,23,24)