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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[2-(2-pyridylsulfanyl)ethyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(2-pyridinylthio)ethyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[2-(2-pyridylthio)ethyl]benzamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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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=N3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3)S(=O)(=O)C)C

InChI

InChI=1S/C24H27N3O3S2/c1-18-7-12-22(16-19(18)2)27(32(3,29)30)17-20-8-10-21(11-9-20)24(28)26-14-15-31-23-6-4-5-13-25-23/h4-13,16H,14-15,17H2,1-3H3,(H,26,28)