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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(isopropylamino)-2-oxo-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-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O5S/c1-15(2)22-20(24)14-28-21(25)17-8-5-10-18(13-17)29(26,27)23-12-6-9-16-7-3-4-11-19(16)23/h3-5,7-8,10-11,13,15H,6,9,12,14H2,1-2H3,(H,22,24)