3-ethanoyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C21H21NO5S3 MolecularWeight: 463.59014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S3/c1-15-8-10-18(11-9-15)29(24,25)21(20-7-4-12-28-20)14-22-30(26,27)19-6-3-5-17(13-19)16(2)23/h3-13,21-22H,14H2,1-2H3