2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C24H37N4O5S+ MolecularWeight: 493.63938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

InChI

InChI=1S/C24H36N4O5S/c1-19-3-4-22(20(2)17-19)34(31,32)28-7-5-21(6-8-28)24(30)27-11-9-25(10-12-27)18-23(29)26-13-15-33-16-14-26/h3-4,17,21H,5-16,18H2,1-2H3/p+1