2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21BrN2O3S2/c1-14-12-15(20)4-9-18(14)26-13-19(23)21-16-5-7-17(8-6-16)27(24,25)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)