(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

InChI

InChI=1S/C23H24ClN3O5S/c1-14-9-15(2)12-27(11-14)33(30,31)18-6-3-16(4-7-18)23(29)32-13-21-25-20-10-17(24)5-8-19(20)22(28)26-21/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,25,26,28)