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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(3-chlorophenyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(3-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(3-chlorophenyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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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=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O3S/c1-16-5-9-22(10-6-16)31(29,30)27-12-11-17-7-8-21(13-18(17)15-27)26-23(28)25-20-4-2-3-19(24)14-20/h2-10,13-14H,11-12,15H2,1H3,(H2,25,26,28)