[2,2-dimethyl-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl] 4-methylbenzenesulfonate Openeye Name: [2,2-dimethyl-3-[N-(p-tolylsulfonyl)anilino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-3-(N-(4-methylphenyl)sulfonylanilino)propyl] ester IUPAC Name: [2,2-dimethyl-3-(N-(4-methylphenyl)sulfonylanilino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-3-(N-tosylanilino)propyl] ester Formula: C25H29NO5S2 MolecularWeight: 487.63146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5S2/c1-20-10-14-23(15-11-20)32(27,28)26(22-8-6-5-7-9-22)18-25(3,4)19-31-33(29,30)24-16-12-21(2)13-17-24/h5-17H,18-19H2,1-4H3