4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]benzonitrile CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]iminomethyl]benzonitrile IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]benzonitrile Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]iminomethyl]benzonitrile Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O2S/c21-15-17-5-7-18(8-6-17)16-22-19-9-11-20(12-10-19)26(24,25)23-13-3-1-2-4-14-23/h5-12,16H,1-4,13-14H2