6-[4-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one

Systemtic Name: 6-[4-bromanyl-1-(4-methylphenyl)sulfonyl-pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one Openeye Name: 6-[4-bromo-1-(p-tolylsulfonyl)pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one CAS Name: 6-[4-bromo-1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-4,4-dimethyl-5-nitro-2-hexanone IUPAC Name: 6-[4-bromo-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4,4-dimethyl-5-nitrohexan-2-one Traditional Name: 6-(4-bromo-1-tosyl-pyrrol-2-yl)-4,4-dimethyl-5-nitro-hexan-2-one Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2CC(C(C)(C)CC(=O)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2CC(C(C)(C)CC(=O)C)[N+](=O)[O-])Br

InChI

InChI=1S/C19H23BrN2O5S/c1-13-5-7-17(8-6-13)28(26,27)21-12-15(20)9-16(21)10-18(22(24)25)19(3,4)11-14(2)23/h5-9,12,18H,10-11H2,1-4H3