2-[[4-[(3-azanyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]phenyl]carbonyl-diethyl-azaniumyl]pentanedioate

Systemtic Name: 2-[[4-[(3-azanyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]phenyl]carbonyl-diethyl-azaniumyl]pentanedioate Openeye Name: 2-[[4-[(3-amino-1-oxo-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]benzoyl]-diethyl-ammonio]pentanedioate CAS Name: 2-[[[4-[(3-amino-1-oxo-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]phenyl]-oxomethyl]-diethylammonio]pentanedioate IUPAC Name: 2-[[4-[(3-amino-1-oxo-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]benzoyl]-diethylazaniumyl]pentanedioate Traditional Name: 2-[[4-[(3-amino-1-keto-5,6-dihydro-4H-benzo[f]quinazolin-8-yl)sulfonylamino]benzoyl]-diethyl-ammonio]glutarate Formula: C28H30N5O8S- MolecularWeight: 596.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(CC3)NC(=NC4=O)N

Isomeric SMILES

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(CC3)NC(=NC4=O)N

InChI

InChI=1S/C28H31N5O8S/c1-3-33(4-2,22(27(38)39)13-14-23(34)35)26(37)16-5-8-18(9-6-16)32-42(40,41)19-10-11-20-17(15-19)7-12-21-24(20)25(36)31-28(29)30-21/h5-6,8-11,15,22H,3-4,7,12-14H2,1-2H3,(H5-,29,30,31,32,34,35,36,37,38,39)/p-1