[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H21N3O5S/c1-3-16-6-4-5-14(2)20(16)23-18(24)13-28-19(25)12-22-29(26,27)17-9-7-15(11-21)8-10-17/h4-10,22H,3,12-13H2,1-2H3,(H,23,24)