S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 4-(4-bromanylbutyl)benzenecarbothioate

Systemtic Name: S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 4-(4-bromanylbutyl)benzenecarbothioate Openeye Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 4-(4-bromobutyl)benzenecarbothioate CAS Name: 4-(4-bromobutyl)benzenecarbothioic acid S-[2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 4-(4-bromobutyl)benzenecarbothioate Traditional Name: 4-(4-bromobutyl)thiobenzoic acid S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] ester Formula: C26H25BrN2O5S2 MolecularWeight: 589.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC(=O)C3=CC=C(C=C3)CCCCBr

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC(=O)C3=CC=C(C=C3)CCCCBr

InChI

InChI=1S/C26H25BrN2O5S2/c1-18(30)29-36(33,34)22-15-13-21(14-16-22)28-25(31)23-7-2-3-8-24(23)35-26(32)20-11-9-19(10-12-20)6-4-5-17-27/h2-3,7-16H,4-6,17H2,1H3,(H,28,31)(H,29,30)