[4-chloranyl-2-(phenylmethyl)phenyl] 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate Openeye Name: (2-benzyl-4-chloro-phenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate CAS Name: 2,4-dioxo-1H-quinazoline-6-sulfonic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate Traditional Name: 2,4-diketo-1H-quinazoline-6-sulfonic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O

InChI

InChI=1S/C21H15ClN2O5S/c22-15-6-9-19(14(11-15)10-13-4-2-1-3-5-13)29-30(27,28)16-7-8-18-17(12-16)20(25)24-21(26)23-18/h1-9,11-12H,10H2,(H2,23,24,25,26)