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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(4-ethoxyphenyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-ethoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-p-phenetyl-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C25H27N3O4S/c1-3-32-23-10-8-21(9-11-23)26-25(29)27-22-7-6-19-14-15-28(17-20(19)16-22)33(30,31)24-12-4-18(2)5-13-24/h4-13,16H,3,14-15,17H2,1-2H3,(H2,26,27,29)