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

Systemtic Name: 2-[3,6-bis(azanyl)-2-methyl-phenyl]-N-ethyl-propane-1-sulfonamide sulfate Openeye Name: 2-(3,6-diamino-2-methyl-phenyl)-N-ethyl-propane-1-sulfonamide sulfate CAS Name: 2-(3,6-diamino-2-methylphenyl)-N-ethyl-1-propanesulfonamide sulfate IUPAC Name: 2-(3,6-diamino-2-methylphenyl)-N-ethylpropane-1-sulfonamide sulfate Traditional Name: 2-(3,6-diamino-2-methyl-phenyl)-N-ethyl-propane-1-sulfonamide sulfate Formula: C12H21N3O6S2-2 MolecularWeight: 367.44164

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)CC(C)C1=C(C=CC(=C1C)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCNS(=O)(=O)CC(C)C1=C(C=CC(=C1C)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H21N3O2S.H2O4S/c1-4-15-18(16,17)7-8(2)12-9(3)10(13)5-6-11(12)14;1-5(2,3)4/h5-6,8,15H,4,7,13-14H2,1-3H3;(H2,1,2,3,4)/p-2