[4,4-bis(4-chlorophenyl)-5-formamido-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-bis(4-chlorophenyl)-5-formamido-pentyl] 4-methylbenzenesulfonate Openeye Name: [4,4-bis(4-chlorophenyl)-5-formamido-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-bis(4-chlorophenyl)-5-formamidopentyl] ester IUPAC Name: [4,4-bis(4-chlorophenyl)-5-formamidopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,4-bis(4-chlorophenyl)-5-formamido-pentyl] ester Formula: C25H25Cl2NO4S MolecularWeight: 506.4413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(CNC=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(CNC=O)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H25Cl2NO4S/c1-19-3-13-24(14-4-19)33(30,31)32-16-2-15-25(17-28-18-29,20-5-9-22(26)10-6-20)21-7-11-23(27)12-8-21/h3-14,18H,2,15-17H2,1H3,(H,28,29)