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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethyl-urea Openeye Name: 1-phenethyl-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenethylurea Traditional Name: 1-phenethyl-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C25H27N3O3S MolecularWeight: 449.56518

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-19-7-11-24(12-8-19)32(30,31)28-16-14-21-9-10-23(17-22(21)18-28)27-25(29)26-15-13-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H2,26,27,29)