N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H29N5O5S2 MolecularWeight: 591.70106

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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(=NC(=C5)C)C

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(=NC(=C5)C)C

InChI

InChI=1S/C29H29N5O5S2/c1-19-8-12-26(13-9-19)41(38,39)34-18-23-7-5-4-6-22(23)17-27(34)29(35)32-24-10-14-25(15-11-24)40(36,37)33-28-16-20(2)30-21(3)31-28/h4-16,27H,17-18H2,1-3H3,(H,32,35)(H,30,31,33)