methyl 2-[methyl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]carbonyl-amino]ethanoate

Systemtic Name: methyl 2-[methyl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]carbonyl-amino]ethanoate Openeye Name: methyl 2-[methyl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carbonyl]amino]acetate CAS Name: 2-[methyl-[[(3S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-[(3S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotoyl]-methyl-amino]acetic acid methyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)N(C)CC(=O)OC

InChI

InChI=1S/C20H26N4O5S/c1-13-16-8-7-15(30(4,27)28)10-17(16)22-20(21-13)24-9-5-6-14(11-24)19(26)23(2)12-18(25)29-3/h7-8,10,14H,5-6,9,11-12H2,1-4H3/t14-/m0/s1