N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(2,5-dimethylphenyl)methylthio]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(2,5-dimethylbenzyl)thio]acetamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-15-3-4-16(2)17(11-15)13-29-14-21(25)23-20-12-18(5-6-19(20)22)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,25)