2,6-bis[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2,6-bis[5-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2,6-bis[5-bromo-1-(p-tolylsulfonyl)indol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2,6-bis[5-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2,6-bis[5-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2,6-bis(5-bromo-1-tosyl-indol-3-yl)-4-(trifluoromethyl)nicotinonitrile Formula: C37H23Br2F3N4O4S2 MolecularWeight: 868.53613

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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(=C(C(=C4)C(F)(F)F)C#N)C5=CN(C6=C5C=C(C=C6)Br)S(=O)(=O)C7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC(=C(C(=C4)C(F)(F)F)C#N)C5=CN(C6=C5C=C(C=C6)Br)S(=O)(=O)C7=CC=C(C=C7)C

InChI

InChI=1S/C37H23Br2F3N4O4S2/c1-21-3-9-25(10-4-21)51(47,48)45-19-30(27-15-23(38)7-13-34(27)45)33-17-32(37(40,41)42)29(18-43)36(44-33)31-20-46(35-14-8-24(39)16-28(31)35)52(49,50)26-11-5-22(2)6-12-26/h3-17,19-20H,1-2H3