4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-1-methylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-amidinophenoxy)-1-mesyl-proline Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1C(=O)O)OC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)N1CC(CC1C(=O)O)OC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C13H17N3O5S/c1-22(19,20)16-7-10(6-11(16)13(17)18)21-9-4-2-3-8(5-9)12(14)15/h2-5,10-11H,6-7H2,1H3,(H3,14,15)(H,17,18)