1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-[(3S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carbonyl]-3-piperidyl]propan-1-one CAS Name: 1-[(3S)-1-[[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-[(3S)-1-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carbonyl]piperidin-3-yl]propan-1-one Traditional Name: 1-[(3S)-1-[1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotoyl]-3-piperidyl]propan-1-one Formula: C24H32N4O4S MolecularWeight: 472.60028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

Isomeric SMILES

CCC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

InChI

InChI=1S/C24H32N4O4S/c1-4-22(29)18-6-5-11-28(15-18)23(30)17-9-12-27(13-10-17)24-25-16(2)20-8-7-19(33(3,31)32)14-21(20)26-24/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3/t18-/m0/s1