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

Systemtic Name: N-[3-(2-bromophenyl)prop-2-ynyl]-N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(2-bromophenyl)prop-2-ynyl]-N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(2-bromophenyl)prop-2-ynyl]-N-[(4,5-dimethyl-1-cyclohexa-1,4-dienyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(2-bromophenyl)prop-2-ynyl]-N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(2-bromophenyl)prop-2-ynyl]-N-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-4-methyl-benzenesulfonamide Formula: C25H26BrNO2S MolecularWeight: 484.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=CC1)CN(CC#CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CC1=C(CC(=CC1)CN(CC#CC2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H26BrNO2S/c1-19-10-14-24(15-11-19)30(28,29)27(18-22-13-12-20(2)21(3)17-22)16-6-8-23-7-4-5-9-25(23)26/h4-5,7,9-11,13-15H,12,16-18H2,1-3H3