[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H26N4O8S2 MolecularWeight: 538.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26N4O8S2/c1-15(21(28)24-18-6-8-19(9-7-18)35(23,30)31)34-22(29)17-4-3-5-20(14-17)36(32,33)26-12-10-25(11-13-26)16(2)27/h3-9,14-15H,10-13H2,1-2H3,(H,24,28)(H2,23,30,31)