ethyl 4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: ethyl 3-benzylsulfanyl-4-chloro-5-sulfamoyl-benzoate CAS Name: 4-chloro-3-(phenylmethylthio)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-4-chloro-5-sulfamoylbenzoate Traditional Name: 3-(benzylthio)-4-chloro-5-sulfamoyl-benzoic acid ethyl ester Formula: C16H16ClNO4S2 MolecularWeight: 385.88554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)Cl)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C16H16ClNO4S2/c1-2-22-16(19)12-8-13(15(17)14(9-12)24(18,20)21)23-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,20,21)