N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O5S/c1-2-11-29(25,26)23-10-9-15-7-8-17(12-16(15)13-23)22-21(24)20-14-27-18-5-3-4-6-19(18)28-20/h3-8,12,20H,2,9-11,13-14H2,1H3,(H,22,24)