[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O5S/c1-19(20-9-3-2-4-10-20)27-25(29)18-33-26(30)22-12-7-14-23(17-22)34(31,32)28-16-8-13-21-11-5-6-15-24(21)28/h2-7,9-12,14-15,17,19H,8,13,16,18H2,1H3,(H,27,29)