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

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-methoxyphenyl)urea Formula: C23H23N3O4S MolecularWeight: 437.51142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C23H23N3O4S/c1-30-21-11-9-19(10-12-21)24-23(27)25-20-8-7-17-13-14-26(16-18(17)15-20)31(28,29)22-5-3-2-4-6-22/h2-12,15H,13-14,16H2,1H3,(H2,24,25,27)