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

Systemtic Name: 3-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]-3-azabicyclo[2.2.1]heptane Openeye Name: 3-ethyl-2-[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]-3-azabicyclo[2.2.1]heptane CAS Name: 3-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]-3-azabicyclo[2.2.1]heptane IUPAC Name: 3-ethyl-2-[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]-3-azabicyclo[2.2.1]heptane Traditional Name: 2-[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]-3-ethyl-3-azabicyclo[2.2.1]heptane Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2CCC(C2)C1C3=CC=C(N3)C4=C(C=CC(=C4)S(=O)(=O)CC)OC

Isomeric SMILES

CCN1C2CCC(C2)C1C3=CC=C(N3)C4=C(C=CC(=C4)S(=O)(=O)CC)OC

InChI

InChI=1S/C21H28N2O3S/c1-4-23-15-7-6-14(12-15)21(23)19-10-9-18(22-19)17-13-16(27(24,25)5-2)8-11-20(17)26-3/h8-11,13-15,21-22H,4-7,12H2,1-3H3