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

Systemtic Name: (2R)-N-cyclopentyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopentyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-cyclopentyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopentyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S2/c1-14(18(23)20-15-5-3-4-6-15)26-17-8-7-16(13-19-17)27(24,25)22-11-9-21(2)10-12-22/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1