3-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]-2-methyl-benzoic acid

Systemtic Name: 3-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]-2-methyl-benzoic acid Openeye Name: 3-[(2-amino-2-oxo-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]-2-methyl-benzoic acid CAS Name: 3-[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]-2-methylbenzoic acid IUPAC Name: 3-[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]-2-methylbenzoic acid Traditional Name: 3-[(2-amino-2-keto-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]-2-methyl-benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(C(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N(C(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H19ClN2O5S/c1-14-18(22(27)28)8-5-9-19(14)25(20(21(24)26)15-6-3-2-4-7-15)31(29,30)17-12-10-16(23)11-13-17/h2-13,20H,1H3,(H2,24,26)(H,27,28)