methyl 3-(4-chloranylbutylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 3-(4-chloranylbutylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate Openeye Name: methyl 3-(4-chlorobutylamino)-4-phenylsulfanyl-5-sulfamoyl-benzoate CAS Name: 3-(4-chlorobutylamino)-4-(phenylthio)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 3-(4-chlorobutylamino)-4-phenylsulfanyl-5-sulfamoylbenzoate Traditional Name: 3-(4-chlorobutylamino)-4-(phenylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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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)NCCCCCl

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S2/c1-25-18(22)13-11-15(21-10-6-5-9-19)17(16(12-13)27(20,23)24)26-14-7-3-2-4-8-14/h2-4,7-8,11-12,21H,5-6,9-10H2,1H3,(H2,20,23,24)