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

Systemtic Name: 2,6-bis[6-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2,6-bis[6-methoxy-1-(p-tolylsulfonyl)indol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2,6-bis[6-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2,6-bis[6-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2,6-bis(6-methoxy-1-tosyl-indol-3-yl)-4-(trifluoromethyl)nicotinonitrile Formula: C39H29F3N4O6S2 MolecularWeight: 770.79597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H29F3N4O6S2/c1-23-5-11-27(12-6-23)53(47,48)45-21-32(29-15-9-25(51-3)17-36(29)45)35-19-34(39(40,41)42)31(20-43)38(44-35)33-22-46(37-18-26(52-4)10-16-30(33)37)54(49,50)28-13-7-24(2)8-14-28/h5-19,21-22H,1-4H3