2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-ethanamide ethanoate

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-ethanamide ethanoate Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenyl-acetamide acetate CAS Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide acetate IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide acetate Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]-2-phenyl-acetamide acetate Formula: C30H28N3O6S- MolecularWeight: 558.62482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(=O)[O-].CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H25N3O4S.C2H4O2/c1-36(33,34)25-13-6-5-12-24(25)19-14-16-22(17-15-19)31-28(32)26(20-8-3-2-4-9-20)35-23-11-7-10-21(18-23)27(29)30;1-2(3)4/h2-18,26H,1H3,(H3,29,30)(H,31,32);1H3,(H,3,4)/p-1