2-[[3-oxidanylidene-3-(2-phenylazanylethylamino)propyl]-(4-phenylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-oxidanylidene-3-(2-phenylazanylethylamino)propyl]-(4-phenylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-(2-anilinoethylamino)-3-oxo-propyl]-(4-phenylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[[3-(2-anilinoethylamino)-3-oxopropyl]-(4-phenylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[[3-(2-anilinoethylamino)-3-oxopropyl]-(4-phenylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[[3-(2-anilinoethylamino)-3-keto-propyl]-(4-phenylphenyl)sulfonyl-amino]acetic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCC(=O)NCCNC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCC(=O)NCCNC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C25H27N3O5S/c29-24(27-17-16-26-22-9-5-2-6-10-22)15-18-28(19-25(30)31)34(32,33)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,26H,15-19H2,(H,27,29)(H,30,31)