N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide; sulfuric acid; dihydrate

Systemtic Name: N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide; sulfuric acid; dihydrate Openeye Name: N-[2-(4-amino-N-ethyl-3-methyl-anilino)ethyl]methanesulfonamide; sulfuric acid; dihydrate CAS Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid; dihydrate IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid; dihydrate Traditional Name: N-[2-(4-amino-N-ethyl-3-methyl-anilino)ethyl]methanesulfonamide; sulfuric acid; dihydrate Formula: C24H52N6O18S5 MolecularWeight: 873.02408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.O.O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.O.O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/2C12H21N3O2S.3H2O4S.2H2O/c2*1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;3*1-5(2,3)4;;/h2*5-6,9,14H,4,7-8,13H2,1-3H3;3*(H2,1,2,3,4);2*1H2