3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-methoxyphenyl)amino]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-methoxyphenyl)amino]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methoxy-anilino)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methoxyanilino]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methoxy-anilino)acetyl]amino]-4-methyl-benzoic acid Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H23N3O7S/c1-13-5-6-16(22(27)28)11-19(13)23-20(26)12-25(17-7-9-18(31-4)10-8-17)33(29,30)21-14(2)24-32-15(21)3/h5-11H,12H2,1-4H3,(H,23,26)(H,27,28)