[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: [3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid [3-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid [3-(2-ketopyrrolidino)phenyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O)Br

InChI

InChI=1S/C17H16BrNO4S/c1-12-7-8-16(15(18)10-12)24(21,22)23-14-5-2-4-13(11-14)19-9-3-6-17(19)20/h2,4-5,7-8,10-11H,3,6,9H2,1H3