2-[(3-methyl-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[(3-methyl-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester IUPAC Name: 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-methyl-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl ester Formula: C13H20N2O7S2 MolecularWeight: 380.4371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O

InChI

InChI=1S/C13H20N2O7S2/c1-11-10-12(4-5-13(11)14-16)15(6-8-21-23(2,17)18)7-9-22-24(3,19)20/h4-5,10H,6-9H2,1-3H3