[1-(4-methylidenecyclohexyl)ethylamino] 4-[(3,5-dimethylphenyl)methoxy]benzenesulfonate

Systemtic Name: [1-(4-methylidenecyclohexyl)ethylamino] 4-[(3,5-dimethylphenyl)methoxy]benzenesulfonate Openeye Name: [1-(4-methylenecyclohexyl)ethylamino] 4-[(3,5-dimethylphenyl)methoxy]benzenesulfonate CAS Name: 4-[(3,5-dimethylphenyl)methoxy]benzenesulfonic acid [1-(4-methylenecyclohexyl)ethylamino] ester IUPAC Name: [1-(4-methylidenecyclohexyl)ethylamino] 4-[(3,5-dimethylphenyl)methoxy]benzenesulfonate Traditional Name: 4-(3,5-dimethylbenzyl)oxybenzenesulfonic acid [1-(4-methylenecyclohexyl)ethylamino] ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)ONC(C)C3CCC(=C)CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)ONC(C)C3CCC(=C)CC3)C

InChI

InChI=1S/C24H31NO4S/c1-17-5-7-22(8-6-17)20(4)25-29-30(26,27)24-11-9-23(10-12-24)28-16-21-14-18(2)13-19(3)15-21/h9-15,20,22,25H,1,5-8,16H2,2-4H3