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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-(2-phenylsulfanylethyl)benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[2-(phenylthio)ethyl]benzamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C25H28N2O3S2/c1-19-9-14-23(17-20(19)2)27(32(3,29)30)18-21-10-12-22(13-11-21)25(28)26-15-16-31-24-7-5-4-6-8-24/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)