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

Systemtic Name: 1-(2-methylphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(o-tolyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(2-methylphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(2-methylphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(o-tolyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C24H25N3O3S MolecularWeight: 435.5386

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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)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C24H25N3O3S/c1-17-7-11-22(12-8-17)31(29,30)27-14-13-19-9-10-21(15-20(19)16-27)25-24(28)26-23-6-4-3-5-18(23)2/h3-12,15H,13-14,16H2,1-2H3,(H2,25,26,28)