[6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-quinazolin-4-yl]methyl 3-nitrobenzenesulfonate

Systemtic Name: [6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-quinazolin-4-yl]methyl 3-nitrobenzenesulfonate Openeye Name: [6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-quinazolin-4-yl]methyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-quinazolin-4-yl]methyl ester IUPAC Name: [6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-quinazolin-4-yl]methyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (6-chloro-4-cyclopropyl-2-keto-1-p-anisyl-3H-quinazolin-4-yl)methyl ester Formula: C26H24ClN3O7S MolecularWeight: 558.00266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(COS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(COS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C26H24ClN3O7S/c1-36-21-10-5-17(6-11-21)15-29-24-12-9-19(27)13-23(24)26(18-7-8-18,28-25(29)31)16-37-38(34,35)22-4-2-3-20(14-22)30(32)33/h2-6,9-14,18H,7-8,15-16H2,1H3,(H,28,31)