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

Systemtic Name: methyl 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 2-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 2-[(2-tosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H24N2O5S/c1-17-11-13-20(14-12-17)33(30,31)27-16-19-8-4-3-7-18(19)15-23(27)24(28)26-22-10-6-5-9-21(22)25(29)32-2/h3-14,23H,15-16H2,1-2H3,(H,26,28)