2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]acetamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)S(=O)(=O)C)C

InChI

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