[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[3-keto-3-(piperonylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H25NO7S/c1-17-4-5-18(2)25(12-17)35(29,30)34-22-10-6-19(13-23(22)31-3)8-11-26(28)27-15-20-7-9-21-24(14-20)33-16-32-21/h4-14H,15-16H2,1-3H3,(H,27,28)