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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/c1-2-6-18-11-15-22(16-12-18)33(31,32)27(17-19-9-13-21(14-10-19)25(29)30)23(24(26)28)20-7-4-3-5-8-20/h3-5,7-16,23H,2,6,17H2,1H3,(H2,26,28)(H,29,30)