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

Systemtic Name: sodium N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[3-(4-piperonylpiperazino)phenyl]sulfamate Formula: C18H20N3NaO5S MolecularWeight: 413.42327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H21N3O5S.Na/c22-27(23,24)19-15-2-1-3-16(11-15)21-8-6-20(7-9-21)12-14-4-5-17-18(10-14)26-13-25-17;/h1-5,10-11,19H,6-9,12-13H2,(H,22,23,24);/q;+1/p-1