1-[(3-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]indole

Systemtic Name: 1-[(3-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]indole Openeye Name: 1-[(3-fluorophenyl)methyl]-2-methyl-3-[1-(o-tolylsulfonyl)-4-piperidyl]indole CAS Name: 1-[(3-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonyl-4-piperidinyl]indole IUPAC Name: 1-[(3-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]indole Traditional Name: 1-(3-fluorobenzyl)-2-methyl-3-[1-(o-tolylsulfonyl)-4-piperidyl]indole Formula: C28H29FN2O2S MolecularWeight: 476.605463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)F)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)F)C

InChI

InChI=1S/C28H29FN2O2S/c1-20-8-3-6-13-27(20)34(32,33)30-16-14-23(15-17-30)28-21(2)31(26-12-5-4-11-25(26)28)19-22-9-7-10-24(29)18-22/h3-13,18,23H,14-17,19H2,1-2H3