[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)N

InChI

InChI=1S/C21H26N2O5S/c1-13-6-7-15(12-18(13)29(22,26)27)20(25)28-14(2)19(24)23-17-10-8-16(9-11-17)21(3,4)5/h6-12,14H,1-5H3,(H,23,24)(H2,22,26,27)