methyl 3-(2-chloroethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 3-(2-chloroethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate Openeye Name: methyl 3-(2-chloroethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(2-chloroethylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 3-(2-chloroethylamino)-4-phenylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(2-chloroethylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)NCCCl

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)SC2=CC=CC=C2)NCCCl

InChI

InChI=1S/C16H17ClN2O4S2/c1-23-16(20)11-9-13(19-8-7-17)15(14(10-11)25(18,21)22)24-12-5-3-2-4-6-12/h2-6,9-10,19H,7-8H2,1H3,(H2,18,21,22)