[1-[(4-methylphenyl)sulfonylamino]-3-phenoxy-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-[(4-methylphenyl)sulfonylamino]-3-phenoxy-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(phenoxymethyl)-2-(p-tolylsulfonylamino)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(4-methylphenyl)sulfonylamino]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)sulfonylamino]-3-phenoxypropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(phenoxymethyl)-2-(tosylamino)ethyl] ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(COC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25NO6S2/c1-18-8-12-22(13-9-18)31(25,26)24-16-21(17-29-20-6-4-3-5-7-20)30-32(27,28)23-14-10-19(2)11-15-23/h3-15,21,24H,16-17H2,1-2H3