2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC(=C1)C#CC2=CC=CS2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-29(26,27)24(19-8-3-6-17(22)14-19)15-21(25)23-18-7-2-5-16(13-18)10-11-20-9-4-12-28-20/h2-9,12-14H,15H2,1H3,(H,23,25)