(2S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(benzofuran-2-yl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(2-benzofuranyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(benzofuran-2-yl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O4S/c1-15-9-11-18(12-10-15)29(26,27)24-13-5-7-19(24)22(25)23-16(2)21-14-17-6-3-4-8-20(17)28-21/h3-4,6,8-12,14,16,19H,5,7,13H2,1-2H3,(H,23,25)/t16?,19-/m0/s1