S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromanylpentanethioate

Systemtic Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromanylpentanethioate Openeye Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromopentanethioate CAS Name: 5-bromopentanethioic acid S-[2-[[4-(4-nitrophenyl)sulfonylanilino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromopentanethioate Traditional Name: 5-bromopentanethioic acid S-[2-[(4-nosylphenyl)carbamoyl]phenyl] ester Formula: C24H21BrN2O6S2 MolecularWeight: 577.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=O)CCCCBr

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=O)CCCCBr

InChI

InChI=1S/C24H21BrN2O6S2/c25-16-4-3-7-23(28)34-22-6-2-1-5-21(22)24(29)26-17-8-12-19(13-9-17)35(32,33)20-14-10-18(11-15-20)27(30)31/h1-2,5-6,8-15H,3-4,7,16H2,(H,26,29)