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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C26H30N2O3S2/c1-20-9-14-25(17-21(20)2)28(33(3,30)31)18-22-10-12-24(13-11-22)26(29)27-15-16-32-19-23-7-5-4-6-8-23/h4-14,17H,15-16,18-19H2,1-3H3,(H,27,29)