[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O7S/c1-24-7-9-25(10-8-24)33(28,29)18-4-2-3-17(12-18)22(27)30-14-21(26)23-13-16-5-6-19-20(11-16)32-15-31-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,23,26)