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

Systemtic Name: methyl (3S)-3-(4-bromophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(4-bromophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate CAS Name: (3S)-3-(4-bromophenyl)-3-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-bromophenyl)-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate Traditional Name: (3S)-3-(4-bromophenyl)-3-[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propionic acid methyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O5S/c1-29-20(25)13-18(14-5-8-17(22)9-6-14)23-21(26)16-7-10-19-15(12-16)4-3-11-24(19)30(2,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,23,26)/t18-/m0/s1