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

Systemtic Name: (2R)-N-cyclohexyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclohexyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-cyclohexyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclohexyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H30N4O3S2/c1-15(19(24)21-16-6-4-3-5-7-16)27-18-9-8-17(14-20-18)28(25,26)23-12-10-22(2)11-13-23/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1