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

Systemtic Name: [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-2-(p-tolylsulfonylamino)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-2-(tosylamino)-3-tosyloxy-propyl] ester Formula: C25H29NO8S3 MolecularWeight: 567.69466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO8S3/c1-19-5-11-22(12-6-19)35(27,28)26-25(4,17-33-36(29,30)23-13-7-20(2)8-14-23)18-34-37(31,32)24-15-9-21(3)10-16-24/h5-16,26H,17-18H2,1-4H3