1-[3-(bromomethyl)-4-(phenylsulfonylmethyl)pyrrolidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[3-(bromomethyl)-4-(phenylsulfonylmethyl)pyrrolidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[3-(benzenesulfonylmethyl)-4-(bromomethyl)pyrrolidin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[3-(benzenesulfonylmethyl)-4-(bromomethyl)-1-pyrrolidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[3-(benzenesulfonylmethyl)-4-(bromomethyl)pyrrolidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[3-(besylmethyl)-4-(bromomethyl)pyrrolidino]-3-methyl-but-2-en-1-one Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CC(C(C1)CBr)CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=CC(=O)N1CC(C(C1)CBr)CS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H22BrNO3S/c1-13(2)8-17(20)19-10-14(9-18)15(11-19)12-23(21,22)16-6-4-3-5-7-16/h3-8,14-15H,9-12H2,1-2H3