[4-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[4-(2-pyrrolidin-1-ylethoxy)anilino]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[4-[2-(1-pyrrolidinyl)ethoxy]anilino]methyl]phenyl] ester IUPAC Name: [4-[[4-(2-pyrrolidin-1-ylethoxy)anilino]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[4-(2-pyrrolidinoethoxy)anilino]methyl]phenyl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CNC3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CNC3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C26H30N2O4S/c1-21-4-14-26(15-5-21)33(29,30)32-25-10-6-22(7-11-25)20-27-23-8-12-24(13-9-23)31-19-18-28-16-2-3-17-28/h4-15,27H,2-3,16-20H2,1H3