[1-(2,4-dichlorophenyl)-2-oxidanyl-2-pyridin-3-yl-hexyl] methanesulfonate

Systemtic Name: [1-(2,4-dichlorophenyl)-2-oxidanyl-2-pyridin-3-yl-hexyl] methanesulfonate Openeye Name: [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridyl)hexyl] methanesulfonate CAS Name: methanesulfonic acid [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridinyl)hexyl] ester IUPAC Name: [1-(2,4-dichlorophenyl)-2-hydroxy-2-pyridin-3-ylhexyl] methanesulfonate Traditional Name: methanesulfonic acid [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridyl)hexyl] ester Formula: C18H21Cl2NO4S MolecularWeight: 418.33464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN=CC=C1)(C(C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C)O

Isomeric SMILES

CCCCC(C1=CN=CC=C1)(C(C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C)O

InChI

InChI=1S/C18H21Cl2NO4S/c1-3-4-9-18(22,13-6-5-10-21-12-13)17(25-26(2,23)24)15-8-7-14(19)11-16(15)20/h5-8,10-12,17,22H,3-4,9H2,1-2H3