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

Systemtic Name: 2-[(3-acetamido-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl ester IUPAC Name: 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitrosoanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-acetamido-N-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl ester Formula: C14H21N3O8S2 MolecularWeight: 423.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O

InChI

InChI=1S/C14H21N3O8S2/c1-11(18)15-14-10-12(4-5-13(14)16-19)17(6-8-24-26(2,20)21)7-9-25-27(3,22)23/h4-5,10H,6-9H2,1-3H3,(H,15,18)