methyl 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: methyl 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-(phenylmethylsulfanyl)butanoate Openeye Name: methyl 4-benzylsulfanyl-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butanoate CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butanoate Traditional Name: 4-(benzylthio)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butyric acid methyl ester Formula: C24H24BrNO4S2 MolecularWeight: 534.48566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CCSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H24BrNO4S2/c1-30-24(27)23(15-16-31-17-18-5-3-2-4-6-18)26-32(28,29)22-13-9-20(10-14-22)19-7-11-21(25)12-8-19/h2-14,23,26H,15-17H2,1H3