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

Systemtic Name: N-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethyl]-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(4-bromo-2,6-dimethyl-phenoxy)ethyl]-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H24BrN3O6S MolecularWeight: 526.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)Br

InChI

InChI=1S/C21H24BrN3O6S/c1-14-12-16(22)13-15(2)20(14)31-11-9-23-21(26)18-7-5-10-24(18)32(29,30)19-8-4-3-6-17(19)25(27)28/h3-4,6,8,12-13,18H,5,7,9-11H2,1-2H3,(H,23,26)