3-[2-(4-methylphenyl)sulfonylethyl-(triphenylmethyl)sulfanyl-amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-(4-methylphenyl)sulfonylethyl-(triphenylmethyl)sulfanyl-amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-(p-tolylsulfonyl)ethyl-tritylsulfanyl-amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-(4-methylphenyl)sulfonylethyl-[(triphenylmethyl)thio]amino]propyl ester IUPAC Name: 3-[2-(4-methylphenyl)sulfonylethyl-tritylsulfanylamino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[2-tosylethyl-(tritylthio)amino]propyl ester Formula: C38H39NO5S3 MolecularWeight: 685.91496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN(CCCOS(=O)(=O)C2=CC=C(C=C2)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN(CCCOS(=O)(=O)C2=CC=C(C=C2)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H39NO5S3/c1-31-19-23-36(24-20-31)46(40,41)30-28-39(27-12-29-44-47(42,43)37-25-21-32(2)22-26-37)45-38(33-13-6-3-7-14-33,34-15-8-4-9-16-34)35-17-10-5-11-18-35/h3-11,13-26H,12,27-30H2,1-2H3