(2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-15-8-11-19(12-9-15)28(26,27)24-13-5-6-21(24)22(25)23-18(4)20-14-16(2)7-10-17(20)3/h7-12,14,18,21H,5-6,13H2,1-4H3,(H,23,25)/t18?,21-/m0/s1