4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H34N4O4S/c1-17-3-9-20(10-4-17)31(29,30)24-15-18-5-7-19(8-6-18)22(28)23-16-21(27)26-13-11-25(2)12-14-26/h3-4,9-10,18-19,24H,5-8,11-16H2,1-2H3,(H,23,28)/p+1