[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-2-9-17-15(19)12-23-16(20)13-5-7-14(8-6-13)24(21,22)18-10-3-4-11-18/h1,5-8H,3-4,9-12H2,(H,17,19)