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

Systemtic Name: (2R)-N-(cyclohexylmethyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylmethyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-(cyclohexylmethyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(cyclohexylmethyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylmethyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C20H33N4O3S2+ MolecularWeight: 441.63102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H32N4O3S2/c1-16(20(25)22-14-17-6-4-3-5-7-17)28-19-9-8-18(15-21-19)29(26,27)24-12-10-23(2)11-13-24/h8-9,15-17H,3-7,10-14H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1