4-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonyl-amino]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonyl-amino]butyl 4-methylbenzenesulfonate Openeye Name: 4-[9-anthrylmethyl(p-tolylsulfonyl)amino]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[9-anthracenylmethyl-(4-methylphenyl)sulfonylamino]butyl ester IUPAC Name: 4-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonylamino]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[9-anthrylmethyl(tosyl)amino]butyl ester Formula: C33H33NO5S2 MolecularWeight: 587.74882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCOS(=O)(=O)C2=CC=C(C=C2)C)CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCOS(=O)(=O)C2=CC=C(C=C2)C)CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C33H33NO5S2/c1-25-13-17-29(18-14-25)40(35,36)34(21-7-8-22-39-41(37,38)30-19-15-26(2)16-20-30)24-33-31-11-5-3-9-27(31)23-28-10-4-6-12-32(28)33/h3-6,9-20,23H,7-8,21-22,24H2,1-2H3