(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-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-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H18ClN3O5S2 MolecularWeight: 467.94632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H18ClN3O5S2/c20-13-3-4-14-15(10-13)21-16(22-18(14)24)11-28-19(25)12-5-7-23(8-6-12)30(26,27)17-2-1-9-29-17/h1-4,9-10,12H,5-8,11H2,(H,21,22,24)