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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-chloranyl-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 5-[allyl(phenyl)sulfamoyl]-2-chloro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H23ClN2O5S/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/h4-11,14H,2-3,12-13,15H2,1H3,(H,23,25)