[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-13-2-9-18(30(26,27)24-16-7-8-16)11-19(13)21(25)28-12-17-10-20(23-29-17)14-3-5-15(22)6-4-14/h2-6,9-11,16,24H,7-8,12H2,1H3