(2R)-N-(1-cyanocyclohexyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C20H30N5O3S2+ MolecularWeight: 452.6139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H29N5O3S2/c1-16(19(26)23-20(15-21)8-4-3-5-9-20)29-18-7-6-17(14-22-18)30(27,28)25-12-10-24(2)11-13-25/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1