2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(2-pyridylsulfanyl)ethyl]acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-pyridinylthio)ethyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-[2-(2-pyridylthio)ethyl]acetamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O3S2/c1-14-7-8-15(2)16(12-14)21(26(3,23)24)13-17(22)19-10-11-25-18-6-4-5-9-20-18/h4-9,12H,10-11,13H2,1-3H3,(H,19,22)