3-[[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(1H-imidazol-5-ylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(1H-imidazol-5-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1H-imidazol-5-ylmethyl)anilino]methyl]benzonitrile CAS Name: 3-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1H-imidazol-5-ylmethyl)anilino]methyl]benzonitrile IUPAC Name: 3-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1H-imidazol-5-ylmethyl)anilino]methyl]benzonitrile Traditional Name: 3-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(1H-imidazol-5-ylmethyl)anilino]methyl]benzonitrile Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)N(CC4=CC=CC(=C4)C#N)CC5=CN=CN5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)N(CC4=CC=CC(=C4)C#N)CC5=CN=CN5

InChI

InChI=1S/C27H25N5O2S/c28-16-21-6-3-7-22(14-21)18-31(19-24-17-29-20-30-24)25-10-4-11-26(15-25)35(33,34)32-13-5-9-23-8-1-2-12-27(23)32/h1-4,6-8,10-12,14-15,17,20H,5,9,13,18-19H2,(H,29,30)