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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N2O5S/c1-3-33-26(30)19-10-12-22(13-11-19)27-25(29)24-16-20-6-4-5-7-21(20)17-28(24)34(31,32)23-14-8-18(2)9-15-23/h4-15,24H,3,16-17H2,1-2H3,(H,27,29)