5-[[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonyl-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(N-mesitylsulfonyl-4-methoxy-anilino)methyl]-2-furoic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(O2)C(=O)O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(O2)C(=O)O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H23NO6S/c1-14-11-15(2)21(16(3)12-14)30(26,27)23(17-5-7-18(28-4)8-6-17)13-19-9-10-20(29-19)22(24)25/h5-12H,13H2,1-4H3,(H,24,25)