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

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]benzoate Formula: C21H21N2O7S- MolecularWeight: 445.46564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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