N-[2-[1-(cyanomethyl)-3,5-dimethyl-cyclohexa-2,5-dien-1-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[2-[1-(cyanomethyl)-3,5-dimethyl-cyclohexa-2,5-dien-1-yl]phenyl]ethanesulfonamide Openeye Name: N-[2-[1-(cyanomethyl)-3,5-dimethyl-cyclohexa-2,5-dien-1-yl]phenyl]ethanesulfonamide CAS Name: N-[2-[1-(cyanomethyl)-3,5-dimethyl-1-cyclohexa-2,5-dienyl]phenyl]ethanesulfonamide IUPAC Name: N-[2-[1-(cyanomethyl)-3,5-dimethylcyclohexa-2,5-dien-1-yl]phenyl]ethanesulfonamide Traditional Name: N-[2-[1-(cyanomethyl)-3,5-dimethyl-cyclohexa-2,5-dien-1-yl]phenyl]ethanesulfonamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC=C1C2(C=C(CC(=C2)C)C)CC#N

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC=C1C2(C=C(CC(=C2)C)C)CC#N

InChI

InChI=1S/C18H22N2O2S/c1-4-23(21,22)20-17-8-6-5-7-16(17)18(9-10-19)12-14(2)11-15(3)13-18/h5-8,12-13,20H,4,9,11H2,1-3H3