3-[3-(4-methylphenyl)sulfonyloxypropyl-phenyl-amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[3-(4-methylphenyl)sulfonyloxypropyl-phenyl-amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[N-[3-(p-tolylsulfonyloxy)propyl]anilino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl ester IUPAC Name: 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[N-(3-tosyloxypropyl)anilino]propyl ester Formula: C26H31NO6S2 MolecularWeight: 517.65744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(CCCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(CCCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO6S2/c1-22-10-14-25(15-11-22)34(28,29)32-20-6-18-27(24-8-4-3-5-9-24)19-7-21-33-35(30,31)26-16-12-23(2)13-17-26/h3-5,8-17H,6-7,18-21H2,1-2H3