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

Systemtic Name: [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(propan-2-ylamino)methyl] 4-methylbenzenesulfonate Openeye Name: [[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]-(isopropylamino)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(propan-2-ylamino)methyl] ester IUPAC Name: [[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]-(propan-2-ylamino)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]-(isopropylamino)methyl] ester Formula: C26H37NO3S MolecularWeight: 443.64188

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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)NC(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)NC(C)C

InChI

InChI=1S/C26H37NO3S/c1-18(2)9-8-10-22(7)24-16-13-21(6)17-25(24)26(27-19(3)4)30-31(28,29)23-14-11-20(5)12-15-23/h9,11-17,19,22,26-27H,8,10H2,1-7H3