[2-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[4-[isopropyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[4-[isopropyl(methyl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-16(2)23(3)29(26,27)19-12-10-18(11-13-19)22-20(24)15-28-21(25)14-9-17-7-5-4-6-8-17/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,22,24)