N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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