[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]sulfamic acid CAS Name: [4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]sulfamic acid Traditional Name: [4-(4-piperonyloylpiperazino)phenyl]sulfamic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)O)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)O)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O6S/c22-18(13-1-6-16-17(11-13)27-12-26-16)21-9-7-20(8-10-21)15-4-2-14(3-5-15)19-28(23,24)25/h1-6,11,19H,7-10,12H2,(H,23,24,25)