methanesulfonic acid; 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: methanesulfonic acid; 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: methanesulfonic acid; 4-[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: methanesulfonic acid; 4-[[1-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: methanesulfonic acid; 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: mesylic acid; 4-[[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H20N2O2S2.CH4O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25;1-5(2,3)4/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25);1H3,(H,2,3,4)