N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O3S2/c1-18(13-19,14-3-4-14)21-16(24)12-27-17-6-5-15(11-20-17)28(25,26)23-9-7-22(2)8-10-23/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1