3-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane

Systemtic Name: 3-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane Openeye Name: 3-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane CAS Name: 3-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane IUPAC Name: 3-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane Traditional Name: 3-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3-azabicyclo[3.2.1]octane Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CC4CCC(C4)C3

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CC4CCC(C4)C3

InChI

InChI=1S/C21H28N2O3S/c1-3-27(24,25)18-7-9-21(26-2)19(11-18)20-8-6-17(22-20)14-23-12-15-4-5-16(10-15)13-23/h6-9,11,15-16,22H,3-5,10,12-14H2,1-2H3