1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-2-11-30(28,29)26-10-9-14-7-8-16(12-15(14)13-26)24-19(27)25-18-6-4-3-5-17(18)20(21,22)23/h3-8,12H,2,9-11,13H2,1H3,(H2,24,25,27)