1-(2-ethylheptyl)-2-(5-ethylsulfonyl-2-methoxy-phenyl)pyrrole hydrochloride

Systemtic Name: 1-(2-ethylheptyl)-2-(5-ethylsulfonyl-2-methoxy-phenyl)pyrrole hydrochloride Openeye Name: 1-(2-ethylheptyl)-2-(5-ethylsulfonyl-2-methoxy-phenyl)pyrrole hydrochloride CAS Name: 1-(2-ethylheptyl)-2-(5-ethylsulfonyl-2-methoxyphenyl)pyrrole hydrochloride IUPAC Name: 1-(2-ethylheptyl)-2-(5-ethylsulfonyl-2-methoxyphenyl)pyrrole hydrochloride Traditional Name: 2-(5-esyl-2-methoxy-phenyl)-1-(2-ethylheptyl)pyrrole hydrochloride Formula: C22H34ClNO3S MolecularWeight: 428.02826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)CN1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl

Isomeric SMILES

CCCCCC(CC)CN1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl

InChI

InChI=1S/C22H33NO3S.ClH/c1-5-8-9-11-18(6-2)17-23-15-10-12-21(23)20-16-19(27(24,25)7-3)13-14-22(20)26-4;/h10,12-16,18H,5-9,11,17H2,1-4H3;1H