2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-cyclohexylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-[5-chloro-2-methoxy-N-(p-tolylsulfonyl)anilino]-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-tosyl-anilino)-N-[3-(cyclohexylthio)propyl]acetamide Formula: C25H33ClN2O4S2 MolecularWeight: 525.12352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSC2CCCCC2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSC2CCCCC2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C25H33ClN2O4S2/c1-19-9-12-22(13-10-19)34(30,31)28(23-17-20(26)11-14-24(23)32-2)18-25(29)27-15-6-16-33-21-7-4-3-5-8-21/h9-14,17,21H,3-8,15-16,18H2,1-2H3,(H,27,29)