4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(2R)-2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(2R)-2-(2-thienyl)-2-tosyl-ethyl]benzenesulfonamide Formula: C20H21NO4S3 MolecularWeight: 435.58004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C20H21NO4S3/c1-15-5-9-17(10-6-15)27(22,23)20(19-4-3-13-26-19)14-21-28(24,25)18-11-7-16(2)8-12-18/h3-13,20-21H,14H2,1-2H3/t20-/m1/s1