N-(5-chloranyl-2-phenylsulfanyl-phenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: N-(5-chloranyl-2-phenylsulfanyl-phenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(5-chloro-2-phenylsulfanyl-phenyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-[5-chloro-2-(phenylthio)phenyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(5-chloro-2-phenylsulfanylphenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-[5-chloro-2-(phenylthio)phenyl]-4-methyl-2-(tosylamino)valeramide Formula: C25H27ClN2O3S2 MolecularWeight: 503.07648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C25H27ClN2O3S2/c1-17(2)15-23(28-33(30,31)21-12-9-18(3)10-13-21)25(29)27-22-16-19(26)11-14-24(22)32-20-7-5-4-6-8-20/h4-14,16-17,23,28H,15H2,1-3H3,(H,27,29)