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

Systemtic Name: 3-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonyl-amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[9-anthrylmethyl(p-tolylsulfonyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[9-anthracenylmethyl-(4-methylphenyl)sulfonylamino]propyl ester IUPAC Name: 3-[anthracen-9-ylmethyl-(4-methylphenyl)sulfonylamino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[9-anthrylmethyl(tosyl)amino]propyl ester Formula: C32H31NO5S2 MolecularWeight: 573.72224

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H31NO5S2/c1-24-12-16-28(17-13-24)39(34,35)33(20-7-21-38-40(36,37)29-18-14-25(2)15-19-29)23-32-30-10-5-3-8-26(30)22-27-9-4-6-11-31(27)32/h3-6,8-19,22H,7,20-21,23H2,1-2H3