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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O7S/c1-14-2-3-16(22(26)27)12-18(14)23-21(25)15-6-8-24(9-7-15)32(28,29)17-4-5-19-20(13-17)31-11-10-30-19/h2-5,12-13,15H,6-11H2,1H3,(H,23,25)(H,26,27)