[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H27N3O5S/c1-4-11-21-19(24)15-28-20(25)17-14-16(29(26,27)23(5-2)6-3)9-10-18(17)22-12-7-8-13-22/h1,9-10,14H,5-8,11-13,15H2,2-3H3,(H,21,24)