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

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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