(2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CCOC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CCOC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-17-9-11-20(12-10-17)29(26,27)24-13-5-8-21(24)22(25)23(3)14-15-28-19-7-4-6-18(2)16-19/h4,6-7,9-12,16,21H,5,8,13-15H2,1-3H3/t21-/m0/s1