N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H24N2O5S MolecularWeight: 464.53346

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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)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H24N2O5S/c1-17-6-10-21(11-7-17)33(29,30)27-13-12-18-8-9-20(14-19(18)15-27)26-25(28)24-16-31-22-4-2-3-5-23(22)32-24/h2-11,14,24H,12-13,15-16H2,1H3,(H,26,28)