2-bromanyl-5-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-bromo-5-methoxy-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C21H20BrNO4S2 MolecularWeight: 494.4218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4S2/c1-14-5-8-16(9-6-14)29(25,26)20(19-4-3-11-28-19)13-23-21(24)17-12-15(27-2)7-10-18(17)22/h3-12,20H,13H2,1-2H3,(H,23,24)