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

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]propionamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S2/c1-18-13-19(2)15-23(14-18)28(33(5,30)31)21(4)26(29)27-25-12-11-22(16-20(25)3)17-32-24-9-7-6-8-10-24/h6-16,21H,17H2,1-5H3,(H,27,29)