N-[4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C18H27N4O5S+ MolecularWeight: 411.49578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C18H26N4O5S/c1-15(23)19-16-2-4-17(5-3-16)28(25,26)22-8-6-20(7-9-22)14-18(24)21-10-12-27-13-11-21/h2-5H,6-14H2,1H3,(H,19,23)/p+1