4-[4-[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H30N4O5S/c25-24(30)19-8-10-22(11-9-19)34(31,32)27-14-12-26(13-15-27)18-23(29)28(17-21-7-4-16-33-21)20-5-2-1-3-6-20/h4-5,7-11,16H,1-3,6,12-15,17-18H2,(H2,25,30)/p+1