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

Systemtic Name: 3-[3-(4-methylphenyl)sulfonyloxypropyl-phenyl-amino]propyl 4-methylbenzenesulfonate hydrochloride Openeye Name: 3-[N-[3-(p-tolylsulfonyloxy)propyl]anilino]propyl 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl ester hydrochloride IUPAC Name: 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid 3-[N-(3-tosyloxypropyl)anilino]propyl ester hydrochloride Formula: C26H32ClNO6S2 MolecularWeight: 554.11838

Click to see the large picture

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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6S2.ClH/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;1H