4-chloranyl-3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-chloro-3-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN2O7S/c22-16-3-1-14(21(26)27)11-17(16)23-20(25)13-5-7-24(8-6-13)32(28,29)15-2-4-18-19(12-15)31-10-9-30-18/h1-4,11-13H,5-10H2,(H,23,25)(H,26,27)