4,5-dimethoxy-2-[[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoic acid Traditional Name: 2-[[1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]nipecotoyl]amino]-4,5-dimethoxy-benzoic acid Formula: C23H25N3O9S MolecularWeight: 519.5243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4C(=O)O)OC)OC)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4C(=O)O)OC)OC)OC1=O

InChI

InChI=1S/C23H25N3O9S/c1-25-17-7-6-14(9-18(17)35-23(25)30)36(31,32)26-8-4-5-13(12-26)21(27)24-16-11-20(34-3)19(33-2)10-15(16)22(28)29/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,27)(H,28,29)