[5-hexyl-1-(2,4,6-trimethylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-phenyl-methanone

Systemtic Name: [5-hexyl-1-(2,4,6-trimethylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-phenyl-methanone Openeye Name: [5-hexyl-1-(2,4,6-trimethylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-phenyl-methanone CAS Name: [5-hexyl-1-(2,4,6-trimethylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-phenylmethanone IUPAC Name: [5-hexyl-1-(2,4,6-trimethylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-phenylmethanone Traditional Name: (5-hexyl-1-mesitylsulfonyl-3-pyrrolin-3-yl)-phenyl-methanone Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=C(CN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C=C(CN1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33NO3S/c1-5-6-7-11-14-24-17-23(25(28)22-12-9-8-10-13-22)18-27(24)31(29,30)26-20(3)15-19(2)16-21(26)4/h8-10,12-13,15-17,24H,5-7,11,14,18H2,1-4H3