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

Systemtic Name: ethyl 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-oxo-4-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]butanoate CAS Name: 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butyric acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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