butyl-[2-oxidanyl-2-oxidanylidene-1-[1-oxidanyl-4-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethyl]-sulfonyl-azanium

Systemtic Name: butyl-[2-oxidanyl-2-oxidanylidene-1-[1-oxidanyl-4-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]ethyl]-sulfonyl-azanium Openeye Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(4-pyridyl)piperazin-1-yl]cyclohexyl]-2-oxo-ethyl]-sulfonyl-ammonium CAS Name: butyl-[2-hydroxy-1-[1-hydroxy-4-(4-pyridin-4-yl-1-piperazinyl)cyclohexyl]-2-oxoethyl]-sulfonylammonium IUPAC Name: butyl-[2-hydroxy-1-[1-hydroxy-4-(4-pyridin-4-ylpiperazin-1-yl)cyclohexyl]-2-oxoethyl]-sulfonylazanium Traditional Name: butyl-[2-hydroxy-1-[1-hydroxy-4-[4-(4-pyridyl)piperazino]cyclohexyl]-2-keto-ethyl]-sulfonyl-ammonium Formula: C21H33N4O5S+ MolecularWeight: 453.57552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5S/c1-2-3-12-25(31(29)30)19(20(26)27)21(28)8-4-17(5-9-21)23-13-15-24(16-14-23)18-6-10-22-11-7-18/h6-7,10-11,17,19,28H,2-5,8-9,12-16H2,1H3/p+1