methyl 2-[4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(3-keto-2,4-dihydroquinoxaline-1-carbonyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O6S/c1-31-22(28)16-6-2-5-9-19(16)32(29,30)24-12-10-15(11-13-24)21(27)25-14-20(26)23-17-7-3-4-8-18(17)25/h2-9,15H,10-14H2,1H3,(H,23,26)