[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2

InChI

InChI=1S/C20H31N3O5S/c1-15(2)9-10-21-19(24)14-28-20(25)17-13-16(29(26,27)22(3)4)7-8-18(17)23-11-5-6-12-23/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,21,24)