methyl 4-[[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotoyl]amino]methyl]benzoic 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)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O5S/c1-16-21-11-10-20(35(3,32)33)13-22(21)28-25(27-16)29-12-4-5-19(15-29)23(30)26-14-17-6-8-18(9-7-17)24(31)34-2/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,26,30)