[1-(4-methylidenecyclohexyl)ethylamino] 4-[(2,6-dimethylpyridin-4-yl)methoxy]benzenesulfonate

Systemtic Name: [1-(4-methylidenecyclohexyl)ethylamino] 4-[(2,6-dimethylpyridin-4-yl)methoxy]benzenesulfonate Openeye Name: [1-(4-methylenecyclohexyl)ethylamino] 4-[(2,6-dimethyl-4-pyridyl)methoxy]benzenesulfonate CAS Name: 4-[(2,6-dimethyl-4-pyridinyl)methoxy]benzenesulfonic acid [1-(4-methylenecyclohexyl)ethylamino] ester IUPAC Name: [1-(4-methylidenecyclohexyl)ethylamino] 4-[(2,6-dimethylpyridin-4-yl)methoxy]benzenesulfonate Traditional Name: 4-[(2,6-dimethyl-4-pyridyl)methoxy]benzenesulfonic acid [1-(4-methylenecyclohexyl)ethylamino] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)ONC(C)C3CCC(=C)CC3

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)ONC(C)C3CCC(=C)CC3

InChI

InChI=1S/C23H30N2O4S/c1-16-5-7-21(8-6-16)19(4)25-29-30(26,27)23-11-9-22(10-12-23)28-15-20-13-17(2)24-18(3)14-20/h9-14,19,21,25H,1,5-8,15H2,2-4H3