sodium N-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: sodium N-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-(4-piperonyloylpiperazino)phenyl]sulfamate Formula: C18H18N3NaO6S MolecularWeight: 427.40679

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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.[Na+]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4.[Na+]

InChI

InChI=1S/C18H19N3O6S.Na/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);/q;+1/p-1