2-[2-(4-carbamimidoylphenyl)ethoxy]-5-(methylsulfonylamino)benzoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethoxy]-5-(methylsulfonylamino)benzoic acid Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethoxy]-5-(methanesulfonamido)benzoic acid CAS Name: 2-[2-(4-carbamimidoylphenyl)ethoxy]-5-(methanesulfonamido)benzoic acid IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethoxy]-5-(methanesulfonamido)benzoic acid Traditional Name: 2-[2-(4-amidinophenyl)ethoxy]-5-(methanesulfonamido)benzoic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)OCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)OCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-26(23,24)20-13-6-7-15(14(10-13)17(21)22)25-9-8-11-2-4-12(5-3-11)16(18)19/h2-7,10,20H,8-9H2,1H3,(H3,18,19)(H,21,22)