2-[(4-methylphenyl)-piperidin-1-yl-methyl]-1-(4-methylphenyl)sulfonyl-indole

Systemtic Name: 2-[(4-methylphenyl)-piperidin-1-yl-methyl]-1-(4-methylphenyl)sulfonyl-indole Openeye Name: 2-[1-piperidyl(p-tolyl)methyl]-1-(p-tolylsulfonyl)indole CAS Name: 2-[(4-methylphenyl)-(1-piperidinyl)methyl]-1-(4-methylphenyl)sulfonylindole IUPAC Name: 2-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(4-methylphenyl)sulfonylindole Traditional Name: 2-[piperidino(p-tolyl)methyl]-1-tosyl-indole Formula: C28H30N2O2S MolecularWeight: 458.615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C)N5CCCCC5

InChI

InChI=1S/C28H30N2O2S/c1-21-10-14-23(15-11-21)28(29-18-6-3-7-19-29)27-20-24-8-4-5-9-26(24)30(27)33(31,32)25-16-12-22(2)13-17-25/h4-5,8-17,20,28H,3,6-7,18-19H2,1-2H3