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

Systemtic Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]methyl]benzoic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O7S/c25-21(23-14-15-1-3-17(4-2-15)22(26)27)16-7-9-24(10-8-16)32(28,29)18-5-6-19-20(13-18)31-12-11-30-19/h1-6,13,16H,7-12,14H2,(H,23,25)(H,26,27)