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

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

InChI

InChI=1S/C21H26N2O6S/c1-13(19(24)23-16-9-7-15(8-10-16)21(2,3)4)29-20(25)14-6-11-17(28-5)18(12-14)30(22,26)27/h6-13H,1-5H3,(H,23,24)(H2,22,26,27)