N-(2-bromanyl-4-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C18H20BrN3O3S2/c1-13-4-6-16(15(19)10-13)21-17(23)12-26-18-7-5-14(11-20-18)27(24,25)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,23)