2-[2-(4-methylphenyl)sulfonyloxyethyl-(3-nitrophenyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(3-nitrophenyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-nitro-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]-3-nitroanilino]ethyl ester IUPAC Name: 2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]-3-nitroanilino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-nitro-N-(2-tosyloxyethyl)anilino]ethyl ester Formula: C24H26N2O8S2 MolecularWeight: 534.60184

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O8S2/c1-19-6-10-23(11-7-19)35(29,30)33-16-14-25(21-4-3-5-22(18-21)26(27)28)15-17-34-36(31,32)24-12-8-20(2)9-13-24/h3-13,18H,14-17H2,1-2H3