2-[4-oxidanylidene-3-[[phenyl-[2-(phenylsulfonylamino)phenyl]sulfanyl-methyl]amino]quinazolin-2-yl]benzoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[[phenyl-[2-(phenylsulfonylamino)phenyl]sulfanyl-methyl]amino]quinazolin-2-yl]benzoic acid Openeye Name: 2-[3-[[[2-(benzenesulfonamido)phenyl]sulfanyl-phenyl-methyl]amino]-4-oxo-quinazolin-2-yl]benzoic acid CAS Name: 2-[3-[[[[2-(benzenesulfonamido)phenyl]thio]-phenylmethyl]amino]-4-oxo-2-quinazolinyl]benzoic acid IUPAC Name: 2-[3-[[[2-(benzenesulfonamido)phenyl]sulfanyl-phenylmethyl]amino]-4-oxoquinazolin-2-yl]benzoic acid Traditional Name: 2-[3-[[[[2-(benzenesulfonamido)phenyl]thio]-phenyl-methyl]amino]-4-keto-quinazolin-2-yl]benzoic acid Formula: C34H26N4O5S2 MolecularWeight: 634.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O)SC5=CC=CC=C5NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O)SC5=CC=CC=C5NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H26N4O5S2/c39-33-27-19-9-10-20-28(27)35-31(25-17-7-8-18-26(25)34(40)41)38(33)36-32(23-13-3-1-4-14-23)44-30-22-12-11-21-29(30)37-45(42,43)24-15-5-2-6-16-24/h1-22,32,36-37H,(H,40,41)