methyl 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)phenyl]sulfonylnipecotic acid methyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

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