4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzonitrile CAS Name: 4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzonitrile Traditional Name: 4-[[4-(1H-indol-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]methylsulfonyl]benzonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2C1C3=C4C=CNC4=CC=C3)CS(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(NC2=CC=CC=C2C1C3=C4C=CNC4=CC=C3)CS(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H21N3O2S/c26-15-17-8-10-19(11-9-17)31(29,30)16-18-14-23(21-4-1-2-6-25(21)28-18)20-5-3-7-24-22(20)12-13-27-24/h1-13,18,23,27-28H,14,16H2