sodium N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]sulfamate

Systemtic Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]sulfamate Openeye Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]sulfamate CAS Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]sulfamate IUPAC Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]sulfamate Traditional Name: sodium N-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]sulfamate Formula: C14H11N2NaO3S2 MolecularWeight: 342.36851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)[O-])C2=NC3=CC=CC=C3S2.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)[O-])C2=NC3=CC=CC=C3S2.[Na+]

InChI

InChI=1S/C14H12N2O3S2.Na/c1-9-8-10(16-21(17,18)19)6-7-11(9)14-15-12-4-2-3-5-13(12)20-14;/h2-8,16H,1H3,(H,17,18,19);/q;+1/p-1