4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Openeye Name: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[2-(2-pyridylsulfanyl)ethyl]benzamide CAS Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(2-pyridinylthio)ethyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Traditional Name: 4-[(4-chlorobenzyl)-mesyl-amino]-N-[2-(2-pyridylthio)ethyl]benzamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=N3

InChI

InChI=1S/C22H22ClN3O3S2/c1-31(28,29)26(16-17-5-9-19(23)10-6-17)20-11-7-18(8-12-20)22(27)25-14-15-30-21-4-2-3-13-24-21/h2-13H,14-16H2,1H3,(H,25,27)