2-bromanyl-1-[4-tert-butyl-1-(phenylsulfonyl)pyrrol-2-yl]ethanone

Systemtic Name: 2-bromanyl-1-[4-tert-butyl-1-(phenylsulfonyl)pyrrol-2-yl]ethanone Openeye Name: 1-[1-(benzenesulfonyl)-4-tert-butyl-pyrrol-2-yl]-2-bromo-ethanone CAS Name: 1-[1-(benzenesulfonyl)-4-tert-butyl-2-pyrrolyl]-2-bromoethanone IUPAC Name: 1-[1-(benzenesulfonyl)-4-tert-butylpyrrol-2-yl]-2-bromoethanone Traditional Name: 1-(1-besyl-4-tert-butyl-pyrrol-2-yl)-2-bromo-ethanone Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C(=C1)C(=O)CBr)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CN(C(=C1)C(=O)CBr)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18BrNO3S/c1-16(2,3)12-9-14(15(19)10-17)18(11-12)22(20,21)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3