N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O5S2/c1-30-13-9-19(22(25)24-10-8-16-4-2-3-5-17(16)15-24)23-31(26,27)18-6-7-20-21(14-18)29-12-11-28-20/h2-7,14,19,23H,8-13,15H2,1H3