(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22ClN3O5S/c1-14-5-6-15(11-19(14)32(29,30)26-9-3-2-4-10-26)22(28)31-13-20-24-18-12-16(23)7-8-17(18)21(27)25-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,25,27)