1-methyl-3-[5-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-5-yl]pent-1-ynyl]indole

Systemtic Name: 1-methyl-3-[5-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-5-yl]pent-1-ynyl]indole Openeye Name: 1-methyl-3-[5-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-pyridin-5-yl]pent-1-ynyl]indole CAS Name: 1-methyl-3-[5-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-5-yl]pent-1-ynyl]indole IUPAC Name: 1-methyl-3-[5-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-5-yl]pent-1-ynyl]indole Traditional Name: 1-methyl-3-[5-(1-tosyl-3,4-dihydro-2H-pyridin-5-yl)pent-1-ynyl]indole Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C2)CCCC#CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C2)CCCC#CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C26H28N2O2S/c1-21-14-16-24(17-15-21)31(29,30)28-18-8-10-22(19-28)9-4-3-5-11-23-20-27(2)26-13-7-6-12-25(23)26/h6-7,12-17,19-20H,3-4,8-10,18H2,1-2H3