(2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(p-tolylsulfonyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-[2-(2-thienyl)ethynyl]phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C24H22N2O3S2/c1-18-9-13-22(14-10-18)31(28,29)26-15-3-8-23(26)24(27)25-20-6-2-5-19(17-20)11-12-21-7-4-16-30-21/h2,4-7,9-10,13-14,16-17,23H,3,8,15H2,1H3,(H,25,27)/t23-/m0/s1