1-[[5-(5-ethylsulfonyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Openeye Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride CAS Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxyphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride IUPAC Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxyphenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Traditional Name: 1-[[5-(5-esyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine hydrochloride Formula: C20H29ClN2O4S MolecularWeight: 428.97326

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C(=C1)C2=CC=C(N2)CN3CCCCC3)OC)OC.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C(=C1)C2=CC=C(N2)CN3CCCCC3)OC)OC.Cl

InChI

InChI=1S/C20H28N2O4S.ClH/c1-4-27(23,24)16-12-17(20(26-3)19(13-16)25-2)18-9-8-15(21-18)14-22-10-6-5-7-11-22;/h8-9,12-13,21H,4-7,10-11,14H2,1-3H3;1H