(2R)-N-cyclopentyl-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-cyclopentylpropanamide Traditional Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-cyclopentyl-propionamide Formula: C24H33N4O3S2+ MolecularWeight: 489.67382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S2/c1-19(24(29)26-21-9-5-6-10-21)32-23-12-11-22(17-25-23)33(30,31)28-15-13-27(14-16-28)18-20-7-3-2-4-8-20/h2-4,7-8,11-12,17,19,21H,5-6,9-10,13-16,18H2,1H3,(H,26,29)/p+1/t19-/m1/s1