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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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