(2S)-N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-ethynylphenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-ethynylphenyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-16-6-4-7-17(14-16)21-20(23)19-8-5-13-22(19)26(24,25)18-11-9-15(2)10-12-18/h1,4,6-7,9-12,14,19H,5,8,13H2,2H3,(H,21,23)/t19-/m0/s1