[[di(propan-2-yl)amino]-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [[di(propan-2-yl)amino]-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Openeye Name: [(diisopropylamino)-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[di(propan-2-yl)amino]-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] ester IUPAC Name: [[di(propan-2-yl)amino]-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(diisopropylamino)-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] ester Formula: C29H43NO3S MolecularWeight: 485.72162

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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)N(C(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO3S/c1-20(2)11-10-12-25(9)27-18-15-24(8)19-28(27)29(30(21(3)4)22(5)6)33-34(31,32)26-16-13-23(7)14-17-26/h11,13-19,21-22,25,29H,10,12H2,1-9H3