[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-chloranyl-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-chloranyl-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC#C

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C21H19ClN2O5S/c1-3-12-23-20(25)15-29-21(26)18-14-17(10-11-19(18)22)30(27,28)24(13-4-2)16-8-6-5-7-9-16/h1,4-11,14H,2,12-13,15H2,(H,23,25)