methyl 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetate CAS Name: 2-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetate Traditional Name: 2-[(2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]acetic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-14-7-9-17(10-8-14)28(25,26)22-13-16-6-4-3-5-15(16)11-18(22)20(24)21-12-19(23)27-2/h3-10,18H,11-13H2,1-2H3,(H,21,24)