[1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-(2,6-dimethyl-4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-1-methyl-ethyl] ester Formula: C22H31ClN2O6S MolecularWeight: 487.00934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)N3CC(OC(C3)C)C)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)N3CC(OC(C3)C)C)Cl

InChI

InChI=1S/C22H31ClN2O6S/c1-14-6-5-9-25(11-14)32(28,29)20-10-18(7-8-19(20)23)22(27)31-17(4)21(26)24-12-15(2)30-16(3)13-24/h7-8,10,14-17H,5-6,9,11-13H2,1-4H3