N-[2-(3,5-dimethylphenoxy)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O4S/c1-16-13-17(2)15-18(14-16)27-12-10-22-21(24)20-9-6-11-23(20)28(25,26)19-7-4-3-5-8-19/h3-5,7-8,13-15,20H,6,9-12H2,1-2H3,(H,22,24)