N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methyl-benzenesulfonamide CAS Name: N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methylbenzenesulfonamide Traditional Name: N-benzyl-N-[6-(4-cyanophenyl)hexa-1,3,5-triynyl]-4-methyl-benzenesulfonamide Formula: C27H18N2O2S MolecularWeight: 434.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C#CC#CC#CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C#CC#CC#CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H18N2O2S/c1-23-12-18-27(19-13-23)32(30,31)29(22-26-10-6-4-7-11-26)20-8-3-2-5-9-24-14-16-25(21-28)17-15-24/h4,6-7,10-19H,22H2,1H3