[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]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] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H28N2O5S/c1-16(2)22(24-31(28,29)20-10-8-17(3)9-11-20)23(27)30-15-21(26)25-13-12-18-6-4-5-7-19(18)14-25/h4-11,16,22,24H,12-15H2,1-3H3