[(cyclohexylamino)-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [(cyclohexylamino)-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(cyclohexylamino)-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(cyclohexylamino)-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] ester IUPAC Name: [(cyclohexylamino)-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(cyclohexylamino)-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] ester Formula: C29H41NO3S MolecularWeight: 483.70574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=CC(=C2)C)C(C)CCC=C(C)C)NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=CC(=C2)C)C(C)CCC=C(C)C)NC3CCCCC3

InChI

InChI=1S/C29H41NO3S/c1-21(2)10-9-11-24(5)27-19-16-23(4)20-28(27)29(30-25-12-7-6-8-13-25)33-34(31,32)26-17-14-22(3)15-18-26/h10,14-20,24-25,29-30H,6-9,11-13H2,1-5H3