4-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]sulfonylfuran-2-sulfonamide hydrochloride

Systemtic Name: 4-[3-(dimethylaminomethyl)-4-oxidanyl-phenyl]sulfonylfuran-2-sulfonamide hydrochloride Openeye Name: 4-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]sulfonylfuran-2-sulfonamide hydrochloride CAS Name: 4-[3-(dimethylaminomethyl)-4-hydroxyphenyl]sulfonyl-2-furansulfonamide hydrochloride IUPAC Name: 4-[3-(dimethylaminomethyl)-4-hydroxyphenyl]sulfonylfuran-2-sulfonamide hydrochloride Traditional Name: 4-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]sulfonylfuran-2-sulfonamide hydrochloride Formula: C13H17ClN2O6S2 MolecularWeight: 396.86688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=COC(=C2)S(=O)(=O)N)O.Cl

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=COC(=C2)S(=O)(=O)N)O.Cl

InChI

InChI=1S/C13H16N2O6S2.ClH/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20;/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20);1H