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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

InChI

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