[4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-oxidanylidene-2-(phenylmethyl)-1H-quinazolin-6-yl] 4-methylbenzenesulfonate Openeye Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-oxo-2-(phenylmethyl)-1H-quinazolin-6-yl] ester IUPAC Name: (2-benzyl-4-oxo-1H-quinazolin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzyl-4-keto-1H-quinazolin-6-yl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=NC3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=NC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-15-7-10-18(11-8-15)29(26,27)28-17-9-12-20-19(14-17)22(25)24-21(23-20)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24,25)