[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H20N6O5S2 MolecularWeight: 500.5507

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H20N6O5S2/c1-2-27-16-6-4-3-5-15(16)19-20(27)24-21(26-25-19)33-12-18(29)32-11-17(28)23-13-7-9-14(10-8-13)34(22,30)31/h3-10H,2,11-12H2,1H3,(H,23,28)(H2,22,30,31)