methyl 2-azanyl-4-(benzimidazol-1-yl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-azanyl-4-(benzimidazol-1-yl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-amino-4-(benzimidazol-1-yl)-5-methylsulfonyl-benzoate CAS Name: 2-amino-4-(1-benzimidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-amino-4-(benzimidazol-1-yl)-5-methylsulfonylbenzoate Traditional Name: 2-amino-4-(benzimidazol-1-yl)-5-mesyl-benzoic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1N)N2C=NC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1N)N2C=NC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C16H15N3O4S/c1-23-16(20)10-7-15(24(2,21)22)14(8-11(10)17)19-9-18-12-5-3-4-6-13(12)19/h3-9H,17H2,1-2H3