(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate CAS Name: 2,4-dioxo-1H-quinazoline-6-sulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate Traditional Name: 2,4-diketo-1H-quinazoline-6-sulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

InChI

InChI=1S/C18H17ClN2O5S/c1-9(2)12-8-14(19)10(3)6-16(12)26-27(24,25)11-4-5-15-13(7-11)17(22)21-18(23)20-15/h4-9H,1-3H3,(H2,20,21,22,23)