N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride Traditional Name: 1-keto-N-[2-(piperonylamino)ethyl]-2H-isoquinoline-5-sulfonamide hydrochloride Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCNS(=O)(=O)C3=CC=CC4=C3C=CNC4=O.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCNS(=O)(=O)C3=CC=CC4=C3C=CNC4=O.Cl

InChI

InChI=1S/C19H19N3O5S.ClH/c23-19-15-2-1-3-18(14(15)6-7-21-19)28(24,25)22-9-8-20-11-13-4-5-16-17(10-13)27-12-26-16;/h1-7,10,20,22H,8-9,11-12H2,(H,21,23);1H