1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidine-3-carbonitrile

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidine-3-carbonitrile Openeye Name: 4-oxo-1-(p-tolylsulfonyl)piperidine-3-carbonitrile CAS Name: 1-(4-methylphenyl)sulfonyl-4-oxo-3-piperidinecarbonitrile IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-oxopiperidine-3-carbonitrile Traditional Name: 4-keto-1-tosyl-nipecotonitrile Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C(C2)C#N

InChI

InChI=1S/C13H14N2O3S/c1-10-2-4-12(5-3-10)19(17,18)15-7-6-13(16)11(8-14)9-15/h2-5,11H,6-7,9H2,1H3