methyl (2S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C22H28N4O5S/c1-14-17-7-6-16(32(3,29)30)13-18(17)24-22(23-14)25-11-8-15(9-12-25)20(27)26-10-4-5-19(26)21(28)31-2/h6-7,13,15,19H,4-5,8-12H2,1-3H3/t19-/m0/s1