3-[1-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane

Systemtic Name: 3-[1-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane Openeye Name: 3-[1-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane CAS Name: 3-[1-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane IUPAC Name: 3-[1-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane Traditional Name: 3-[1-[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]ethyl]-3-azabicyclo[2.2.1]heptane 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)C(C)N3CC4CCC3C4

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)C(C)N3CC4CCC3C4

InChI

InChI=1S/C21H28N2O3S/c1-4-27(24,25)17-7-10-21(26-3)18(12-17)20-9-8-19(22-20)14(2)23-13-15-5-6-16(23)11-15/h7-10,12,14-16,22H,4-6,11,13H2,1-3H3