(5-azanyl-2-methyl-phenyl) methanesulfonate; 1,1-bis(methylsulfonyl)aziridin-1-ium

Systemtic Name: (5-azanyl-2-methyl-phenyl) methanesulfonate; 1,1-bis(methylsulfonyl)aziridin-1-ium Openeye Name: (5-amino-2-methyl-phenyl) methanesulfonate; 1,1-bis(methylsulfonyl)aziridin-1-ium CAS Name: 1,1-bis(methylsulfonyl)aziridin-1-ium; methanesulfonic acid (5-amino-2-methylphenyl) ester IUPAC Name: (5-amino-2-methylphenyl) methanesulfonate; 1,1-bis(methylsulfonyl)aziridin-1-ium Traditional Name: 1,1-dimesylethylenimin-1-ium; methanesulfonic acid (5-amino-2-methyl-phenyl) ester Formula: C12H21N2O7S3+ MolecularWeight: 401.49934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)OS(=O)(=O)C.CS(=O)(=O)[N+]1(CC1)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)OS(=O)(=O)C.CS(=O)(=O)[N+]1(CC1)S(=O)(=O)C

InChI

InChI=1S/C8H11NO3S.C4H10NO4S2/c1-6-3-4-7(9)5-8(6)12-13(2,10)11;1-10(6,7)5(3-4-5)11(2,8)9/h3-5H,9H2,1-2H3;3-4H2,1-2H3/q;+1