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

Systemtic Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O7S/c24-20(22-17-4-2-1-3-16(17)21(25)26)14-7-9-23(10-8-14)31(27,28)15-5-6-18-19(13-15)30-12-11-29-18/h1-6,13-14H,7-12H2,(H,22,24)(H,25,26)