[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-30-14-12-20(23-31(27,28)19-9-3-2-4-10-19)22(26)29-16-21(25)24-13-11-17-7-5-6-8-18(17)15-24/h2-10,20,23H,11-16H2,1H3