N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxo-ethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-ethyl-N-[2-(ethylamino)-2-keto-ethyl]acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-3-19-17(23)14-21(4-2)18(24)15-20-10-12-22(13-11-20)27(25,26)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23)/p+1