ethyl 4-oxidanylidene-4-[[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate Openeye Name: ethyl 4-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-keto-butyric acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

InChI

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