(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H16ClN3O5S2 MolecularWeight: 489.95184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)Cl

InChI

InChI=1S/C21H16ClN3O5S2/c22-17-7-6-15(10-18(17)32(27,28)23-11-14-4-2-1-3-5-14)21(26)29-12-19-24-20(25-30-19)16-8-9-31-13-16/h1-10,13,23H,11-12H2