[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-13-11-16(12-19(14(13)2)30(23,27)28)21(26)29-15(3)20(25)24-18-9-7-17(8-10-18)22(4,5)6/h7-12,15H,1-6H3,(H,24,25)(H2,23,27,28)