N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-piperonyl-benzenesulfonamide Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O6S2/c26-32(27,24-14-17-5-10-22-23(13-17)31-16-30-22)20-6-8-21(9-7-20)33(28,29)25-12-11-18-3-1-2-4-19(18)15-25/h1-10,13,24H,11-12,14-16H2