2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-1-(4-ethylpiperazino)ethanone Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-2-21-13-15-22(16-14-21)20(24)17-27-18-7-9-19(10-8-18)28(25,26)23-11-5-3-4-6-12-23/h7-10H,2-6,11-17H2,1H3