1-(4-methylsulfonylphenyl)carbonylpyrrole-3-carbonitrile

Systemtic Name: 1-(4-methylsulfonylphenyl)carbonylpyrrole-3-carbonitrile Openeye Name: 1-(4-methylsulfonylbenzoyl)pyrrole-3-carbonitrile CAS Name: 1-[(4-methylsulfonylphenyl)-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(4-methylsulfonylbenzoyl)pyrrole-3-carbonitrile Traditional Name: 1-(4-mesylbenzoyl)pyrrole-3-carbonitrile Formula: C13H10N2O3S MolecularWeight: 274.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C=CC(=C2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C=CC(=C2)C#N

InChI

InChI=1S/C13H10N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(16)15-7-6-10(8-14)9-15/h2-7,9H,1H3