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

Systemtic Name: 2-[(3-chloranyl-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester IUPAC Name: 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-chloro-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl ester Formula: C12H17ClN2O7S2 MolecularWeight: 400.85558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)N=O)Cl

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)N=O)Cl

InChI

InChI=1S/C12H17ClN2O7S2/c1-23(17,18)21-7-5-15(6-8-22-24(2,19)20)10-3-4-12(14-16)11(13)9-10/h3-4,9H,5-8H2,1-2H3