N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Systemtic Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Openeye Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide CAS Name: N-[(4,5-dimethyl-1-cyclohexa-1,4-dienyl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide IUPAC Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Traditional Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=CC1)CN(CC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1=C(CC(=CC1)CN(CC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H27NO2S/c1-20-11-15-25(16-12-20)29(27,28)26(17-7-10-23-8-5-4-6-9-23)19-24-14-13-21(2)22(3)18-24/h4-6,8-9,11-12,14-16H,13,17-19H2,1-3H3