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

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(2-nitrophenyl)sulfanyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2-nitrophenyl)sulfanyl-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(4-methylphenyl)sulfonyloxyethyl-[(2-nitrophenyl)thio]amino]ethyl ester IUPAC Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(2-nitrophenyl)sulfanylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[[(2-nitrophenyl)thio]-(2-tosyloxyethyl)amino]ethyl ester Formula: C24H26N2O8S3 MolecularWeight: 566.66684

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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)SC3=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)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O8S3/c1-19-7-11-21(12-8-19)36(29,30)33-17-15-25(35-24-6-4-3-5-23(24)26(27)28)16-18-34-37(31,32)22-13-9-20(2)10-14-22/h3-14H,15-18H2,1-2H3