methyl 3-(2-chlorophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(2-chlorophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]propanoate Openeye Name: methyl 3-(2-chlorophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate CAS Name: 3-(2-chlorophenyl)-3-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-chlorophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate Traditional Name: 3-(2-chlorophenyl)-3-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propionic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O5S/c1-29-20(25)13-18(16-7-3-4-8-17(16)22)23-21(26)15-9-10-19-14(12-15)6-5-11-24(19)30(2,27)28/h3-4,7-10,12,18H,5-6,11,13H2,1-2H3,(H,23,26)