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

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azepane IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azepane Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azepane Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/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