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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O5S/c27-23(25-19-8-9-21-22(13-19)31-15-30-21)24-18-7-6-16-10-11-26(14-17(16)12-18)32(28,29)20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2,(H2,24,25,27)