2-[3,6-bis(azanyl)-2-methyl-phenyl]propane-1-sulfonamide sulfate

Systemtic Name: 2-[3,6-bis(azanyl)-2-methyl-phenyl]propane-1-sulfonamide sulfate Openeye Name: 2-(3,6-diamino-2-methyl-phenyl)propane-1-sulfonamide sulfate CAS Name: 2-(3,6-diamino-2-methylphenyl)-1-propanesulfonamide sulfate IUPAC Name: 2-(3,6-diamino-2-methylphenyl)propane-1-sulfonamide sulfate Traditional Name: 2-(3,6-diamino-2-methyl-phenyl)propane-1-sulfonamide sulfate Formula: C10H17N3O6S2-2 MolecularWeight: 339.38848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(C)CS(=O)(=O)N)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1C(C)CS(=O)(=O)N)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H17N3O2S.H2O4S/c1-6(5-16(13,14)15)10-7(2)8(11)3-4-9(10)12;1-5(2,3)4/h3-4,6H,5,11-12H2,1-2H3,(H2,13,14,15);(H2,1,2,3,4)/p-2