(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic 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:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

InChI

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