methyl 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Traditional Name: 4-[(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]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)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

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