2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentane-1-sulfonic acid

Systemtic Name: 2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentane-1-sulfonic acid Openeye Name: 2-[3-[(4-methylbenzothiophen-3-yl)methyl]-2-oxo-benzimidazol-1-yl]pentane-1-sulfonic acid CAS Name: 2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-1-benzimidazolyl]-1-pentanesulfonic acid IUPAC Name: 2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]pentane-1-sulfonic acid Traditional Name: 2-[2-keto-3-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-yl]pentane-1-sulfonic acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CS(=O)(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

Isomeric SMILES

CCCC(CS(=O)(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

InChI

InChI=1S/C22H24N2O4S2/c1-3-7-17(14-30(26,27)28)24-19-10-5-4-9-18(19)23(22(24)25)12-16-13-29-20-11-6-8-15(2)21(16)20/h4-6,8-11,13,17H,3,7,12,14H2,1-2H3,(H,26,27,28)