2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-3,4-dimethyl-anilino)propionamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H28N2O3S2/c1-16-10-11-20(14-17(16)2)23(28(4,25)26)18(3)21(24)22-12-13-27-15-19-8-6-5-7-9-19/h5-11,14,18H,12-13,15H2,1-4H3,(H,22,24)