2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-sulfamoyl-benzoic acid

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-sulfamoyl-benzoic acid Openeye Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]-4-sulfamoyl-benzoic acid CAS Name: 2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]-4-sulfamoylbenzoic acid IUPAC Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]-4-sulfamoylbenzoic acid Traditional Name: 2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]-4-sulfamoyl-benzoic acid Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=C(C=CC(=C2)S(=O)(=O)N)C(=O)O)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=C(C=CC(=C2)S(=O)(=O)N)C(=O)O)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H22N4O5S/c24-21(25)15-7-4-8-16(11-15)22(28)27-20(14-5-2-1-3-6-14)13-17-12-18(33(26,31)32)9-10-19(17)23(29)30/h1-12,20H,13H2,(H3,24,25)(H,27,28)(H,29,30)(H2,26,31,32)