N-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]pyrrolidine-2-carboxamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-15-13-17(22)14-16(2)20(15)28-12-10-23-21(25)19-9-6-11-24(19)29(26,27)18-7-4-3-5-8-18/h3-5,7-8,13-14,19H,6,9-12H2,1-2H3,(H,23,25)