diethyl 2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)sulfamoyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(3-azanyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)sulfamoyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)sulfamoyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)sulfamoyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(3-amino-1-oxo-4H-benzo[f]quinazolin-9-yl)sulfamoyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(3-amino-1-keto-4H-benzo[f]quinazolin-9-yl)sulfamoyl]benzoyl]amino]glutaric acid diethyl ester Formula: C28H29N5O8S MolecularWeight: 595.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=CC4=C3C(=O)N=C(N4)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C=CC4=C3C(=O)N=C(N4)N

InChI

InChI=1S/C28H29N5O8S/c1-3-40-23(34)14-13-22(27(37)41-4-2)30-25(35)17-6-10-19(11-7-17)42(38,39)33-18-9-5-16-8-12-21-24(20(16)15-18)26(36)32-28(29)31-21/h5-12,15,22,33H,3-4,13-14H2,1-2H3,(H,30,35)(H3,29,31,32,36)