2-azanyl-1-[(4-methylsulfonylphenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-azanyl-1-[(4-methylsulfonylphenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-amino-1-[(4-methylsulfonylphenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 2-amino-1-[(4-methylsulfonylphenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-amino-1-[(4-methylsulfonylphenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-amino-1-(4-mesylbenzyl)benzimidazole-5-carboxylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)N=C2N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)N=C2N

InChI

InChI=1S/C16H15N3O4S/c1-24(22,23)12-5-2-10(3-6-12)9-19-14-7-4-11(15(20)21)8-13(14)18-16(19)17/h2-8H,9H2,1H3,(H2,17,18)(H,20,21)