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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-fluorobenzyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C24H24FN3O3S MolecularWeight: 453.529063

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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)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3S/c1-17-2-10-23(11-3-17)32(30,31)28-13-12-19-6-9-22(14-20(19)16-28)27-24(29)26-15-18-4-7-21(25)8-5-18/h2-11,14H,12-13,15-16H2,1H3,(H2,26,27,29)