2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNS(=O)(=O)C2=CC3=C(CCN(C3)CC4=CC5=C(C=C4)OCO5)C=C2

Isomeric SMILES

CN1CCCC1CCNS(=O)(=O)C2=CC3=C(CCN(C3)CC4=CC5=C(C=C4)OCO5)C=C2

InChI

InChI=1S/C24H31N3O4S/c1-26-11-2-3-21(26)8-10-25-32(28,29)22-6-5-19-9-12-27(16-20(19)14-22)15-18-4-7-23-24(13-18)31-17-30-23/h4-7,13-14,21,25H,2-3,8-12,15-17H2,1H3