1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane hydrochloride Formula: C20H29ClN2O3S MolecularWeight: 412.97386

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCC3.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCC3.Cl

InChI

InChI=1S/C20H28N2O3S.ClH/c1-3-26(23,24)17-9-11-20(25-2)18(14-17)19-10-8-16(21-19)15-22-12-6-4-5-7-13-22;/h8-11,14,21H,3-7,12-13,15H2,1-2H3;1H