(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(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 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

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