2-[(3,4-dimethoxyphenyl)sulfonyl-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(3,4-dimethoxyphenyl)sulfonyl-4-(4-oxo-1-piperidyl)anilino]acetic acid CAS Name: 2-[N-(3,4-dimethoxyphenyl)sulfonyl-4-(4-oxo-1-piperidinyl)anilino]acetic acid IUPAC Name: 2-[N-(3,4-dimethoxyphenyl)sulfonyl-4-(4-oxopiperidin-1-yl)anilino]acetic acid Traditional Name: 2-[N-(3,4-dimethoxyphenyl)sulfonyl-4-(4-ketopiperidino)anilino]acetic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)N3CCC(=O)CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)N3CCC(=O)CC3)OC

InChI

InChI=1S/C21H24N2O7S/c1-29-19-8-7-18(13-20(19)30-2)31(27,28)23(14-21(25)26)16-5-3-15(4-6-16)22-11-9-17(24)10-12-22/h3-8,13H,9-12,14H2,1-2H3,(H,25,26)