[4-[[methyl(2-methylbutyl)amino]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[[methyl(2-methylbutyl)amino]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[methyl(2-methylbutyl)amino]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[methyl(2-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[methyl(2-methylbutyl)amino]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[methyl(2-methylbutyl)amino]methyl]phenyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)CN(C)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27NO3S/c1-5-16(2)14-21(4)15-18-8-10-19(11-9-18)24-25(22,23)20-12-6-17(3)7-13-20/h6-13,16H,5,14-15H2,1-4H3