4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylphenyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(phenylthio)phenyl]butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-[2-(phenylthio)phenyl]butyramide Formula: C23H22Cl2N2O3S2 MolecularWeight: 509.46838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C23H22Cl2N2O3S2/c1-32(29,30)27(21-16-17(24)13-14-19(21)25)15-7-12-23(28)26-20-10-5-6-11-22(20)31-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28)