methyl 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O7S2/c1-27-20(24)17-4-5-18(30-17)21-19(23)13-6-8-22(9-7-13)31(25,26)14-2-3-15-16(12-14)29-11-10-28-15/h2-5,12-13H,6-11H2,1H3,(H,21,23)