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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17(2)12-13-24-22(26)16-30-23(27)19-8-5-10-20(15-19)31(28,29)25-14-6-9-18-7-3-4-11-21(18)25/h3-5,7-8,10-11,15,17H,6,9,12-14,16H2,1-2H3,(H,24,26)