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

Systemtic Name: 3-chloranyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide Openeye Name: 3-chloro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 3-chloro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide Traditional Name: 3-chloro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C19H18ClNO4S3 MolecularWeight: 455.99852

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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)Cl)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO4S3/c1-14-7-9-16(10-8-14)27(22,23)19(18-6-3-11-26-18)13-21-28(24,25)17-5-2-4-15(20)12-17/h2-12,19,21H,13H2,1H3