N-[(1R,2S)-2-methylcyclohexyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C19H31N4O3S2+ MolecularWeight: 427.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H30N4O3S2/c1-15-5-3-4-6-17(15)21-18(24)14-27-19-8-7-16(13-20-19)28(25,26)23-11-9-22(2)10-12-23/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,21,24)/p+1/t15-,17+/m0/s1