3-[2-(diethylamino)-1-oxidanyl-ethyl]-4-methoxy-benzenesulfonamide; methanesulfonic acid

Systemtic Name: 3-[2-(diethylamino)-1-oxidanyl-ethyl]-4-methoxy-benzenesulfonamide; methanesulfonic acid Openeye Name: 3-[2-(diethylamino)-1-hydroxy-ethyl]-4-methoxy-benzenesulfonamide; methanesulfonic acid CAS Name: 3-[2-(diethylamino)-1-hydroxyethyl]-4-methoxybenzenesulfonamide; methanesulfonic acid IUPAC Name: 3-[2-(diethylamino)-1-hydroxyethyl]-4-methoxybenzenesulfonamide; methanesulfonic acid Traditional Name: 3-[2-(diethylamino)-1-hydroxy-ethyl]-4-methoxy-benzenesulfonamide; mesylic acid Formula: C14H26N2O7S2 MolecularWeight: 398.49544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C1=C(C=CC(=C1)S(=O)(=O)N)OC)O.CS(=O)(=O)O

Isomeric SMILES

CCN(CC)CC(C1=C(C=CC(=C1)S(=O)(=O)N)OC)O.CS(=O)(=O)O

InChI

InChI=1S/C13H22N2O4S.CH4O3S/c1-4-15(5-2)9-12(16)11-8-10(20(14,17)18)6-7-13(11)19-3;1-5(2,3)4/h6-8,12,16H,4-5,9H2,1-3H3,(H2,14,17,18);1H3,(H,2,3,4)