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

Systemtic Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azocane Openeye Name: 1-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azocane CAS Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azocane IUPAC Name: 1-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]azocane Traditional Name: 1-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]azocane Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)C2=CC=C(N2)CN3CCCCCCC3

InChI

InChI=1S/C21H30N2O3S/c1-3-27(24,25)18-10-12-21(26-2)19(15-18)20-11-9-17(22-20)16-23-13-7-5-4-6-8-14-23/h9-12,15,22H,3-8,13-14,16H2,1-2H3