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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [(1S)-2-anilino-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-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-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-anilino-2-keto-1-methyl-ethyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O6S/c1-18(25(29)27-21-11-4-3-5-12-21)34-26(30)20-14-15-23(33-2)24(17-20)35(31,32)28-16-8-10-19-9-6-7-13-22(19)28/h3-7,9,11-15,17-18H,8,10,16H2,1-2H3,(H,27,29)/t18-/m0/s1