1-(3,5-dimethylphenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,5-dimethylphenyl)urea Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C

InChI

InChI=1S/C24H25N3O3S/c1-17-12-18(2)14-22(13-17)26-24(28)25-21-9-8-19-10-11-27(16-20(19)15-21)31(29,30)23-6-4-3-5-7-23/h3-9,12-15H,10-11,16H2,1-2H3,(H2,25,26,28)