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

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine Openeye Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine CAS Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxyphenyl)-1H-pyrrol-2-yl]methyl]piperidine IUPAC Name: 1-[[5-(5-ethylsulfonyl-2,3-dimethoxyphenyl)-1H-pyrrol-2-yl]methyl]piperidine Traditional Name: 1-[[5-(5-esyl-2,3-dimethoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine Formula: C20H28N2O4S MolecularWeight: 392.51232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/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