5-bromanyl-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)pyridin-2-yl]indole

Systemtic Name: 5-bromanyl-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)pyridin-2-yl]indole Openeye Name: 5-bromo-1-(p-tolylsulfonyl)-3-[4-(trifluoromethyl)-2-pyridyl]indole CAS Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)-2-pyridinyl]indole IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)pyridin-2-yl]indole Traditional Name: 5-bromo-1-tosyl-3-[4-(trifluoromethyl)-2-pyridyl]indole Formula: C21H14BrF3N2O2S MolecularWeight: 495.31227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14BrF3N2O2S/c1-13-2-5-16(6-3-13)30(28,29)27-12-18(17-11-15(22)4-7-20(17)27)19-10-14(8-9-26-19)21(23,24)25/h2-12H,1H3