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

Systemtic Name: sodium N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]sulfamate Openeye Name: sodium N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]sulfamate CAS Name: sodium N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]sulfamate Traditional Name: sodium N-[4-[(4-piperonylpiperazino)methyl]phenyl]sulfamate Formula: C19H22N3NaO5S MolecularWeight: 427.44985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NS(=O)(=O)[O-])CC3=CC4=C(C=C3)OCO4.[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NS(=O)(=O)[O-])CC3=CC4=C(C=C3)OCO4.[Na+]

InChI

InChI=1S/C19H23N3O5S.Na/c23-28(24,25)20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)27-14-26-18;/h1-6,11,20H,7-10,12-14H2,(H,23,24,25);/q;+1/p-1