1-[(4-propan-2-ylphenyl)methyl]benzimidazole-2-sulfonic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]benzimidazole-2-sulfonic acid Openeye Name: 1-[(4-isopropylphenyl)methyl]benzimidazole-2-sulfonic acid CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-2-benzimidazolesulfonic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]benzimidazole-2-sulfonic acid Traditional Name: 1-(4-isopropylbenzyl)benzimidazole-2-sulfonic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)O

InChI

InChI=1S/C17H18N2O3S/c1-12(2)14-9-7-13(8-10-14)11-19-16-6-4-3-5-15(16)18-17(19)23(20,21)22/h3-10,12H,11H2,1-2H3,(H,20,21,22)