methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O5S/c1-16-20-10-9-19(35(3,32)33)15-21(20)27-25(26-16)29-13-11-18(12-14-29)23(30)28-22(24(31)34-2)17-7-5-4-6-8-17/h4-10,15,18,22H,11-14H2,1-3H3,(H,28,30)/t22-/m0/s1