3-heptyl-1-(4-methylphenyl)sulfonyl-pyrrole-2-carbonitrile

Systemtic Name: 3-heptyl-1-(4-methylphenyl)sulfonyl-pyrrole-2-carbonitrile Openeye Name: 3-heptyl-1-(p-tolylsulfonyl)pyrrole-2-carbonitrile CAS Name: 3-heptyl-1-(4-methylphenyl)sulfonyl-2-pyrrolecarbonitrile IUPAC Name: 3-heptyl-1-(4-methylphenyl)sulfonylpyrrole-2-carbonitrile Traditional Name: 3-heptyl-1-tosyl-pyrrole-2-carbonitrile Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCCCCCCC1=C(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C19H24N2O2S/c1-3-4-5-6-7-8-17-13-14-21(19(17)15-20)24(22,23)18-11-9-16(2)10-12-18/h9-14H,3-8H2,1-2H3