3-[4-[2-(4-bromophenyl)ethanoyl]-1-methylsulfonyl-pyrrolidin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-(4-bromophenyl)ethanoyl]-1-methylsulfonyl-pyrrolidin-3-yl]benzenecarbonitrile Openeye Name: 3-[4-[2-(4-bromophenyl)acetyl]-1-methylsulfonyl-pyrrolidin-3-yl]benzonitrile CAS Name: 3-[4-[2-(4-bromophenyl)-1-oxoethyl]-1-methylsulfonyl-3-pyrrolidinyl]benzonitrile IUPAC Name: 3-[4-[2-(4-bromophenyl)acetyl]-1-methylsulfonylpyrrolidin-3-yl]benzonitrile Traditional Name: 3-[4-[2-(4-bromophenyl)acetyl]-1-mesyl-pyrrolidin-3-yl]benzonitrile Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C(C1)C(=O)CC2=CC=C(C=C2)Br)C3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CC(C(C1)C(=O)CC2=CC=C(C=C2)Br)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19BrN2O3S/c1-27(25,26)23-12-18(16-4-2-3-15(9-16)11-22)19(13-23)20(24)10-14-5-7-17(21)8-6-14/h2-9,18-19H,10,12-13H2,1H3