3-[4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methyl-indol-3-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-methyl-indol-3-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[1-[(2-chloro-6-fluoro-phenyl)methyl]-2-methyl-indol-3-yl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-indolyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylindol-3-yl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[1-(2-chloro-6-fluoro-benzyl)-2-methyl-indol-3-yl]piperidino]sulfonylbenzonitrile Formula: C28H25ClFN3O2S MolecularWeight: 522.033403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=C(C=CC=C3Cl)F)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=C(C=CC=C3Cl)F)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H25ClFN3O2S/c1-19-28(21-12-14-32(15-13-21)36(34,35)22-7-4-6-20(16-22)17-31)23-8-2-3-11-27(23)33(19)18-24-25(29)9-5-10-26(24)30/h2-11,16,21H,12-15,18H2,1H3