2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C25H27FN2O3S2 MolecularWeight: 486.621883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C25H27FN2O3S2/c1-4-24(28(33(3,30)31)21-13-11-20(26)12-14-21)25(29)27-23-15-10-19(16-18(23)2)17-32-22-8-6-5-7-9-22/h5-16,24H,4,17H2,1-3H3,(H,27,29)