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

Systemtic Name: methyl 4-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O5S/c1-18-7-13-23(14-8-18)34(31,32)28-17-22-6-4-3-5-21(22)15-24(28)25(29)27-16-19-9-11-20(12-10-19)26(30)33-2/h3-14,24H,15-17H2,1-2H3,(H,27,29)