3-(2-azanyl-1-oxidanyl-ethyl)-4-methyl-benzenesulfonamide; methanesulfonic acid

Systemtic Name: 3-(2-azanyl-1-oxidanyl-ethyl)-4-methyl-benzenesulfonamide; methanesulfonic acid Openeye Name: 3-(2-amino-1-hydroxy-ethyl)-4-methyl-benzenesulfonamide; methanesulfonic acid CAS Name: 3-(2-amino-1-hydroxyethyl)-4-methylbenzenesulfonamide; methanesulfonic acid IUPAC Name: 3-(2-amino-1-hydroxyethyl)-4-methylbenzenesulfonamide; methanesulfonic acid Traditional Name: 3-(2-amino-1-hydroxy-ethyl)-4-methyl-benzenesulfonamide; mesylic acid Formula: C10H18N2O6S2 MolecularWeight: 326.38972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(CN)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(CN)O.CS(=O)(=O)O

InChI

InChI=1S/C9H14N2O3S.CH4O3S/c1-6-2-3-7(15(11,13)14)4-8(6)9(12)5-10;1-5(2,3)4/h2-4,9,12H,5,10H2,1H3,(H2,11,13,14);1H3,(H,2,3,4)