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

Systemtic Name: 5-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonyl-amino]pentyl 4-methylbenzenesulfonate Openeye Name: 5-[9-anthrylmethyl(p-tolylsulfonyl)amino]pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[9-anthracenylmethyl-(4-methylphenyl)sulfonylamino]pentyl ester IUPAC Name: 5-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonylamino]pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-[9-anthrylmethyl(tosyl)amino]pentyl ester Formula: C34H35NO5S2 MolecularWeight: 601.7754

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H35NO5S2/c1-26-14-18-30(19-15-26)41(36,37)35(22-8-3-9-23-40-42(38,39)31-20-16-27(2)17-21-31)25-34-32-12-6-4-10-28(32)24-29-11-5-7-13-33(29)34/h4-7,10-21,24H,3,8-9,22-23,25H2,1-2H3