2-[2-(4-methylphenyl)sulfonyloxyethyl-(4-nitrosophenyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(4-nitrosophenyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-nitroso-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]-4-nitrosoanilino]ethyl ester IUPAC Name: 2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]-4-nitrosoanilino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-nitroso-N-(2-tosyloxyethyl)anilino]ethyl ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)N=O

InChI

InChI=1S/C24H26N2O7S2/c1-19-3-11-23(12-4-19)34(28,29)32-17-15-26(22-9-7-21(25-27)8-10-22)16-18-33-35(30,31)24-13-5-20(2)6-14-24/h3-14H,15-18H2,1-2H3