N-(4-iodophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-iodophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-iodophenyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-iodophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-iodophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-iodophenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H21IN2O3S MolecularWeight: 532.39391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C23H21IN2O3S/c1-16-6-12-21(13-7-16)30(28,29)26-15-18-5-3-2-4-17(18)14-22(26)23(27)25-20-10-8-19(24)9-11-20/h2-13,22H,14-15H2,1H3,(H,25,27)