2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(3-methyloctan-2-yl)pyrrole hydrochloride

Systemtic Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(3-methyloctan-2-yl)pyrrole hydrochloride Openeye Name: 1-(1,2-dimethylheptyl)-2-(5-ethylsulfonyl-2-methoxy-phenyl)pyrrole hydrochloride CAS Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-methyloctan-2-yl)pyrrole hydrochloride IUPAC Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-methyloctan-2-yl)pyrrole hydrochloride Traditional Name: 1-(1,2-dimethylheptyl)-2-(5-esyl-2-methoxy-phenyl)pyrrole hydrochloride Formula: C22H34ClNO3S MolecularWeight: 428.02826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)N1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl

Isomeric SMILES

CCCCCC(C)C(C)N1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl

InChI

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