[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O6S/c1-13(19(21)23)28-20(24)15-9-10-17(27-2)18(12-15)29(25,26)22-11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H2,21,23)/t13-/m0/s1