[3-(2-aminophenyl)-2-(4-methylphenyl)sulfonyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-aminophenyl)-2-(4-methylphenyl)sulfonyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(2-aminophenyl)-2-(p-tolylsulfonyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-aminophenyl)-2-(4-methylphenyl)sulfonylpropyl] ester IUPAC Name: [3-(2-aminophenyl)-2-(4-methylphenyl)sulfonylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-aminophenyl)-2-tosyl-propyl] ester Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2N)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2N)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25NO5S2/c1-17-7-11-20(12-8-17)30(25,26)22(15-19-5-3-4-6-23(19)24)16-29-31(27,28)21-13-9-18(2)10-14-21/h3-14,22H,15-16,24H2,1-2H3