2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-7-yl)sulfonylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-7-yl)sulfonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-7-yl)sulfonylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-7-yl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-7-yl)sulfonylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(1-keto-3-methyl-4H-benzo[f]quinazolin-7-yl)sulfonylamino]benzoyl]amino]glutaric acid Formula: C25H22N4O8S MolecularWeight: 538.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N4O8S/c1-13-26-18-10-9-16-17(22(18)24(33)27-13)3-2-4-20(16)38(36,37)29-15-7-5-14(6-8-15)23(32)28-19(25(34)35)11-12-21(30)31/h2-10,19,29H,11-12H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)