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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-fluorobenzyl)urea Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22FN3O3S/c24-20-9-6-17(7-10-20)15-25-23(28)26-21-11-8-18-12-13-27(16-19(18)14-21)31(29,30)22-4-2-1-3-5-22/h1-11,14H,12-13,15-16H2,(H2,25,26,28)