[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C27H20N2O6S2 MolecularWeight: 532.5875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC=C(C=C5)S(=O)(=O)N)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC=C(C=C5)S(=O)(=O)N)C=CC=C4C2=O

InChI

InChI=1S/C27H20N2O6S2/c28-37(33,34)17-10-8-16(9-11-17)29-24(30)14-35-25(31)15-36-23-13-12-19-18-4-1-2-5-20(18)27(32)22-7-3-6-21(23)26(19)22/h1-13H,14-15H2,(H,29,30)(H2,28,33,34)