2-(azepan-1-ium-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

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