2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-ethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-17-5-3-6-19(15-17)28-16-21(25)23-11-4-12-24(14-13-23)29(26,27)20-9-7-18(22)8-10-20/h3,5-10,15H,2,4,11-14,16H2,1H3