butyl-[2-oxidanyl-2-oxidanylidene-1-[1-oxidanyl-4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]ethyl]-sulfonyl-azanium

Systemtic Name: butyl-[2-oxidanyl-2-oxidanylidene-1-[1-oxidanyl-4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]ethyl]-sulfonyl-azanium Openeye Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]-2-oxo-ethyl]-sulfonyl-ammonium CAS Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(4-pyridazinylamino)-1-piperazinyl]cyclohexyl]-2-oxoethyl]-sulfonylammonium IUPAC Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(pyridazin-4-ylamino)piperazin-1-yl]cyclohexyl]-2-oxoethyl]-sulfonylazanium Traditional Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(pyridazin-4-ylamino)piperazino]cyclohexyl]-2-keto-ethyl]-sulfonyl-ammonium Formula: C20H33N6O5S+ MolecularWeight: 469.57822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=S(=O)=O)C(C(=O)O)C1(CCC(CC1)N2CCN(CC2)NC3=CN=NC=C3)O

Isomeric SMILES

CCCC[N+](=S(=O)=O)C(C(=O)O)C1(CCC(CC1)N2CCN(CC2)NC3=CN=NC=C3)O

InChI

InChI=1S/C20H32N6O5S/c1-2-3-10-26(32(30)31)18(19(27)28)20(29)7-4-17(5-8-20)24-11-13-25(14-12-24)23-16-6-9-21-22-15-16/h6,9,15,17-18,29H,2-5,7-8,10-14H2,1H3,(H-,21,23,27,28)/p+1