methyl 2-(1-quinoxalin-2-ylcarbonylpiperidin-4-yl)sulfonylbenzoate

Systemtic Name: methyl 2-(1-quinoxalin-2-ylcarbonylpiperidin-4-yl)sulfonylbenzoate Openeye Name: methyl 2-[[1-(quinoxaline-2-carbonyl)-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[oxo(2-quinoxalinyl)methyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-(quinoxaline-2-carbonyl)-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H21N3O5S/c1-30-22(27)16-6-2-5-9-20(16)31(28,29)15-10-12-25(13-11-15)21(26)19-14-23-17-7-3-4-8-18(17)24-19/h2-9,14-15H,10-13H2,1H3