[3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propyl] ester IUPAC Name: [3-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-methoxyphenyl)-2-(tosylamino)propyl] ester Formula: C24H27NO6S2 MolecularWeight: 489.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H27NO6S2/c1-18-4-12-23(13-5-18)32(26,27)25-21(16-20-8-10-22(30-3)11-9-20)17-31-33(28,29)24-14-6-19(2)7-15-24/h4-15,21,25H,16-17H2,1-3H3