[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H24N2O6S/c1-12(2)18-16(20)11-25-17(21)13-6-7-14(24-3)15(10-13)26(22,23)19-8-4-5-9-19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,18,20)