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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16(2)14-23-21(25)15-29-22(26)18-8-5-10-19(13-18)30(27,28)24-12-6-9-17-7-3-4-11-20(17)24/h3-5,7-8,10-11,13,16H,6,9,12,14-15H2,1-2H3,(H,23,25)