[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C19H28N2O6S/c1-13(2)12-20-18(22)14(3)27-19(23)15-7-8-16(26-4)17(11-15)28(24,25)21-9-5-6-10-21/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,20,22)