ethyl (3S)-1-[(4R)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4R)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4R)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)azepan-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4R)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-azepanyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4R)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4R)-1-(7-mesyl-4-methyl-quinazolin-2-yl)azepan-4-yl]nipecotic acid ethyl ester Formula: C24H34N4O4S MolecularWeight: 474.61616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)[C@@H]2CCCN(CC2)C3=NC4=C(C=CC(=C4)S(=O)(=O)C)C(=N3)C

InChI

InChI=1S/C24H34N4O4S/c1-4-32-23(29)18-7-5-13-28(16-18)19-8-6-12-27(14-11-19)24-25-17(2)21-10-9-20(33(3,30)31)15-22(21)26-24/h9-10,15,18-19H,4-8,11-14,16H2,1-3H3/t18-,19+/m0/s1