[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methyl-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-methyl-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-pyrrolidinosulfonyl-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20BrNO5S/c1-14-4-5-16(12-19(14)28(25,26)22-10-2-3-11-22)20(24)27-13-18(23)15-6-8-17(21)9-7-15/h4-9,12H,2-3,10-11,13H2,1H3