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

Systemtic Name: methyl (3S)-3-(4-bromophenyl)-3-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]propanoate Openeye Name: methyl (3S)-3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-(4-bromophenyl)propanoate CAS Name: (3S)-3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-(4-bromophenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-(4-bromophenyl)propanoate Traditional Name: (3S)-3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-(4-bromophenyl)propionic acid methyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N[C@@H](CC(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-14(25)24-11-3-4-16-12-18(9-10-20(16)24)30(27,28)23-19(13-21(26)29-2)15-5-7-17(22)8-6-15/h5-10,12,19,23H,3-4,11,13H2,1-2H3/t19-/m0/s1