2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylphenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylthio)phenyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-(phenylthio)phenyl]butyramide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O3S2/c1-5-23(27(32(4,29)30)20-16-15-18(2)19(3)17-20)25(28)26-22-13-9-10-14-24(22)31-21-11-7-6-8-12-21/h6-17,23H,5H2,1-4H3,(H,26,28)