[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H23N3O5S/c1-2-13-23-31(28,29)20-11-5-17(6-12-20)22(27)30-16-21(26)24-18-7-9-19(10-8-18)25-14-3-4-15-25/h1,5-12,23H,3-4,13-16H2,(H,24,26)