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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-2-3-14-23-21(25)16-29-22(26)18-10-12-19(13-11-18)30(27,28)24-15-6-8-17-7-4-5-9-20(17)24/h4-5,7,9-13H,2-3,6,8,14-16H2,1H3,(H,23,25)