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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic 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-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-15-6-8-18(9-7-15)28(25,26)21-12-20(24)27-14-19(23)22-11-10-16-4-2-3-5-17(16)13-22/h2-9,21H,10-14H2,1H3