5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)O

InChI

InChI=1S/C23H26N2O8S/c1-31-19-4-2-15(12-18(19)23(27)28)14-24-22(26)16-6-8-25(9-7-16)34(29,30)17-3-5-20-21(13-17)33-11-10-32-20/h2-5,12-13,16H,6-11,14H2,1H3,(H,24,26)(H,27,28)