4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-pentane-2-sulfonic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-pentane-2-sulfonic acid Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-pentane-2-sulfonic acid CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-methyl-2-pentanesulfonic acid IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methylpentane-2-sulfonic acid Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-methyl-pentane-2-sulfonic acid Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)S(=O)(=O)O)SCC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(CC(C)(C)S(=O)(=O)O)SCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C14H20N2O3S2/c1-10(8-14(2,3)21(17,18)19)20-9-13-15-11-6-4-5-7-12(11)16-13/h4-7,10H,8-9H2,1-3H3,(H,15,16)(H,17,18,19)