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

Systemtic Name: 1-cyclohexyl-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyclohexyl-urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyclohexylurea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyclohexylurea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-cyclohexyl-urea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C22H27N3O3S/c26-22(23-19-7-3-1-4-8-19)24-20-12-11-17-13-14-25(16-18(17)15-20)29(27,28)21-9-5-2-6-10-21/h2,5-6,9-12,15,19H,1,3-4,7-8,13-14,16H2,(H2,23,24,26)