2-bromanyl-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(methylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C18H19BrN2O3S2 MolecularWeight: 455.38906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C18H19BrN2O3S2/c1-25-14-6-4-5-13(11-14)20-18(22)16-12-15(7-8-17(16)19)26(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)