3-[1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrol-2-yl]heptan-2-one

Systemtic Name: 3-[1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrol-2-yl]heptan-2-one Openeye Name: 3-[3-phenyl-1-(p-tolylsulfonyl)pyrrol-2-yl]heptan-2-one CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-phenyl-2-pyrrolyl]-2-heptanone IUPAC Name: 3-[1-(4-methylphenyl)sulfonyl-3-phenylpyrrol-2-yl]heptan-2-one Traditional Name: 3-(3-phenyl-1-tosyl-pyrrol-2-yl)heptan-2-one Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=CN1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCC(C1=C(C=CN1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C24H27NO3S/c1-4-5-11-22(19(3)26)24-23(20-9-7-6-8-10-20)16-17-25(24)29(27,28)21-14-12-18(2)13-15-21/h6-10,12-17,22H,4-5,11H2,1-3H3