sodium N-[4-(4-ethylsulfonylpiperazin-1-yl)carbonylphenyl]sulfamate

Systemtic Name: sodium N-[4-(4-ethylsulfonylpiperazin-1-yl)carbonylphenyl]sulfamate Openeye Name: sodium N-[4-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]sulfamate CAS Name: sodium N-[4-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]sulfamate IUPAC Name: sodium N-[4-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]sulfamate Traditional Name: sodium N-[4-(4-esylpiperazine-1-carbonyl)phenyl]sulfamate Formula: C13H18N3NaO6S2 MolecularWeight: 399.41829

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H19N3O6S2.Na/c1-2-23(18,19)16-9-7-15(8-10-16)13(17)11-3-5-12(6-4-11)14-24(20,21)22;/h3-6,14H,2,7-10H2,1H3,(H,20,21,22);/q;+1/p-1