methyl 1-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate CAS Name: 1-[(4S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-azepanyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate Traditional Name: 1-[(4S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]isonipecotic acid methyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(CC3)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](CC3)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H32N4O4S/c1-16-20-7-6-19(32(3,29)30)15-21(20)25-23(24-16)27-11-4-5-18(10-14-27)26-12-8-17(9-13-26)22(28)31-2/h6-7,15,17-18H,4-5,8-14H2,1-3H3/t18-/m0/s1