2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(p-tolylsulfonyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H25N5O5S2 MolecularWeight: 563.6479

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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=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C27H25N5O5S2/c1-19-7-11-24(12-8-19)39(36,37)32-18-21-6-3-2-5-20(21)17-25(32)26(33)30-22-9-13-23(14-10-22)38(34,35)31-27-28-15-4-16-29-27/h2-16,25H,17-18H2,1H3,(H,30,33)(H,28,29,31)