[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H24ClN3O7S MolecularWeight: 461.91706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O7S/c1-12(2)10-20-18(25)21-16(23)11-29-17(24)14-9-13(3-4-15(14)19)30(26,27)22-5-7-28-8-6-22/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,20,21,23,25)