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

Systemtic Name: 3-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]indole Openeye Name: 3-[1-(4-bromophenyl)sulfonyl-4-piperidyl]-2-methyl-1-(o-tolylmethyl)indole CAS Name: 3-[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-2-methyl-1-[(2-methylphenyl)methyl]indole IUPAC Name: 3-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]indole Traditional Name: 3-(1-brosyl-4-piperidyl)-2-methyl-1-(2-methylbenzyl)indole Formula: C28H29BrN2O2S MolecularWeight: 537.51106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C28H29BrN2O2S/c1-20-7-3-4-8-23(20)19-31-21(2)28(26-9-5-6-10-27(26)31)22-15-17-30(18-16-22)34(32,33)25-13-11-24(29)12-14-25/h3-14,22H,15-19H2,1-2H3