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

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]-4-methylsulfonyl-benzoic acid CAS Name: 2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]-4-methylsulfonylbenzoic acid Traditional Name: 2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]-4-mesyl-benzoic acid Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C24H23N3O5S/c1-33(31,32)19-10-11-20(24(29)30)18(13-19)14-21(15-6-3-2-4-7-15)27-23(28)17-9-5-8-16(12-17)22(25)26/h2-13,21H,14H2,1H3,(H3,25,26)(H,27,28)(H,29,30)