2-oxidanylidenepropyl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: acetonyl 2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-bromo-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-pyrrolidinosulfonyl-benzoic acid acetonyl ester Formula: C14H16BrNO5S MolecularWeight: 390.24954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C14H16BrNO5S/c1-10(17)9-21-14(18)12-8-11(4-5-13(12)15)22(19,20)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3