4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-amino]methyl]benzoic acid Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H23ClN2O5S/c1-15-13-21(16(2)12-20(15)25)33(31,32)27(14-17-8-10-19(11-9-17)24(29)30)22(23(26)28)18-6-4-3-5-7-18/h3-13,22H,14H2,1-2H3,(H2,26,28)(H,29,30)