2-(1-morpholin-4-ylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(1-morpholin-4-ylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(1-morpholinoethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[1-(4-morpholinyl)ethylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(1-morpholin-4-ylethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(1-morpholinoethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCOCC1)SC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC(N1CCOCC1)SC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H17N3O4S2/c1-9(16-4-6-20-7-5-16)21-13-14-11-3-2-10(22(17,18)19)8-12(11)15-13/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,17,18,19)