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

Systemtic Name: methyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H30N2O7S/c1-29-21(26)22(9-3-2-4-10-22)23-20(25)16-7-11-24(12-8-16)32(27,28)17-5-6-18-19(15-17)31-14-13-30-18/h5-6,15-16H,2-4,7-14H2,1H3,(H,23,25)