4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzenecarbonitrile Openeye Name: 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzonitrile CAS Name: 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzonitrile IUPAC Name: 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzonitrile Traditional Name: 4-[3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfonyl)phenyl]benzonitrile Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N2O2S/c24-16-17-4-6-18(7-5-17)20-2-1-3-22(14-20)28(26,27)23-9-8-19-10-12-25-13-11-21(19)15-23/h1-9,14-15,25H,10-13H2