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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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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=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S2/c1-4-24(27(32(3,29)30)21-11-7-5-8-12-21)25(28)26-23-16-15-20(17-19(23)2)18-31-22-13-9-6-10-14-22/h5-17,24H,4,18H2,1-3H3,(H,26,28)