4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)butane-1-sulfonic acid Openeye Name: 4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)butane-1-sulfonic acid CAS Name: 4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)butane-1-sulfonic acid Traditional Name: 4-(6-cyano-3-ethyl-2-methyl-2H-benzimidazol-1-yl)butane-1-sulfonic acid Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=CC(=C2)C#N)CCCCS(=O)(=O)O)C

Isomeric SMILES

CCN1C(N(C2=C1C=CC(=C2)C#N)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C15H21N3O3S/c1-3-17-12(2)18(8-4-5-9-22(19,20)21)15-10-13(11-16)6-7-14(15)17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,19,20,21)