3-[1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-5-methyl-1H-indole

Systemtic Name: 3-[1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-5-methyl-1H-indole Openeye Name: 3-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]-5-methyl-1H-indole CAS Name: 3-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinyl]-5-methyl-1H-indole IUPAC Name: 3-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-5-methyl-1H-indole Traditional Name: 3-[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]-5-methyl-1H-indole Formula: C21H20BrF3N2O3S MolecularWeight: 517.35931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

InChI

InChI=1S/C21H20BrF3N2O3S/c1-13-2-4-18-16(10-13)17(12-26-18)14-6-8-27(9-7-14)31(28,29)20-5-3-15(22)11-19(20)30-21(23,24)25/h2-5,10-12,14,26H,6-9H2,1H3