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

Systemtic Name: 1-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H27N3O6S/c1-32-22-14-20(15-23(33-2)24(22)34-3)27-25(29)26-19-10-9-17-11-12-28(16-18(17)13-19)35(30,31)21-7-5-4-6-8-21/h4-10,13-15H,11-12,16H2,1-3H3,(H2,26,27,29)