3-bromanyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-bromo-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-bromo-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-bromo-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C20H18BrNO3S2 MolecularWeight: 464.39582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC(=CC=C2)Br)C3=CC=CS3

InChI

InChI=1S/C20H18BrNO3S2/c1-14-7-9-17(10-8-14)27(24,25)19(18-6-3-11-26-18)13-22-20(23)15-4-2-5-16(21)12-15/h2-12,19H,13H2,1H3,(H,22,23)