4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-propan-2-ylphenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-propan-2-ylphenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-isopropylphenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-propan-2-ylphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-propan-2-ylphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-p-cumenylsulfonyl-amino]methyl]benzoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-17(2)19-12-14-22(15-13-19)33(31,32)27(16-18-8-10-21(11-9-18)25(29)30)23(24(26)28)20-6-4-3-5-7-20/h3-15,17,23H,16H2,1-2H3,(H2,26,28)(H,29,30)