N-[1-(4-bromanyl-2-methylsulfanyl-3-propan-2-ylsulfonyl-phenyl)-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-(4-bromanyl-2-methylsulfanyl-3-propan-2-ylsulfonyl-phenyl)-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(4-bromo-3-isopropylsulfonyl-2-methylsulfanyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[4-bromo-2-(methylthio)-3-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(4-bromo-2-methylsulfanyl-3-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-[4-bromo-3-isopropylsulfonyl-2-(methylthio)phenyl]-3-keto-propyl]formamide Formula: C14H18BrNO4S2 MolecularWeight: 408.33102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1SC)C(CC=O)NC=O)Br

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1SC)C(CC=O)NC=O)Br

InChI

InChI=1S/C14H18BrNO4S2/c1-9(2)22(19,20)14-11(15)5-4-10(13(14)21-3)12(6-7-17)16-8-18/h4-5,7-9,12H,6H2,1-3H3,(H,16,18)