methyl 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O4S2/c1-21-9-11-22(12-10-21)28(24,25)17-7-8-18(20-13-17)27-14-15-3-5-16(6-4-15)19(23)26-2/h3-8,13H,9-12,14H2,1-2H3/p+1