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

Systemtic Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(4-phenylbut-3-ynyl)benzenesulfonamide Openeye Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(4-phenylbut-3-ynyl)benzenesulfonamide CAS Name: N-[(4,5-dimethyl-1-cyclohexa-1,4-dienyl)methyl]-4-methyl-N-(4-phenylbut-3-ynyl)benzenesulfonamide IUPAC Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(4-phenylbut-3-ynyl)benzenesulfonamide Traditional Name: N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-N-(4-phenylbut-3-ynyl)benzenesulfonamide Formula: C26H29NO2S MolecularWeight: 419.57896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO2S/c1-21-12-16-26(17-13-21)30(28,29)27(20-25-15-14-22(2)23(3)19-25)18-8-7-11-24-9-5-4-6-10-24/h4-6,9-10,12-13,15-17H,8,14,18-20H2,1-3H3