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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)F)C4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H29FN2O2S/c1-21-28(24-15-17-30(18-16-24)34(32,33)20-23-7-3-2-4-8-23)26-9-5-6-10-27(26)31(21)19-22-11-13-25(29)14-12-22/h2-14,24H,15-20H2,1H3