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

Systemtic Name: methyl (3S)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-28-20(24)14-18(15-7-4-3-5-8-15)22-21(25)17-10-11-19-16(13-17)9-6-12-23(19)29(2,26)27/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,25)/t18-/m0/s1