[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H22Cl2N2O6S MolecularWeight: 453.33738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H22Cl2N2O6S/c1-3-11(2)20-16(22)10-27-17(23)12-8-15(14(19)9-13(12)18)28(24,25)21-4-6-26-7-5-21/h8-9,11H,3-7,10H2,1-2H3,(H,20,22)