sodium N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfamate

Systemtic Name: sodium N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfamate Openeye Name: sodium N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]sulfamate CAS Name: sodium N-[4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(2-furoyl)piperazine-1-carbonyl]phenyl]sulfamate Formula: C16H16N3NaO6S MolecularWeight: 401.36951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)C3=CC=CO3.[Na+]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)C3=CC=CO3.[Na+]

InChI

InChI=1S/C16H17N3O6S.Na/c20-15(12-3-5-13(6-4-12)17-26(22,23)24)18-7-9-19(10-8-18)16(21)14-2-1-11-25-14;/h1-6,11,17H,7-10H2,(H,22,23,24);/q;+1/p-1