2-[(2-bromophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(2-bromophenyl)methylthio]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2-bromobenzyl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C20H23BrN2O4S2 MolecularWeight: 499.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23BrN2O4S2/c1-15-6-7-17(12-19(15)29(25,26)23-8-10-27-11-9-23)22-20(24)14-28-13-16-4-2-3-5-18(16)21/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)