[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C(C)C)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C2=CC=CC=C2)C(C)C)S(=O)(=O)N)C

InChI

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