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

Systemtic Name: sodium N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfamate Openeye Name: sodium N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfamate CAS Name: sodium N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfamate Traditional Name: sodium N-[4-(4-piperonylpiperazine-1-carbonyl)phenyl]sulfamate Formula: C19H20N3NaO6S MolecularWeight: 441.43337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S.Na/c23-19(15-2-4-16(5-3-15)20-29(24,25)26)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)28-13-27-17;/h1-6,11,20H,7-10,12-13H2,(H,24,25,26);/q;+1/p-1