[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C19H28N2O6S/c1-15(2)26-13-5-10-20-18(22)14-27-19(23)16-6-8-17(9-7-16)28(24,25)21-11-3-4-12-21/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,22)