3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N4O4S2/c20-14-16-4-1-6-18(12-16)28(24,25)22-8-3-9-23(11-10-22)29(26,27)19-7-2-5-17(13-19)15-21/h1-2,4-7,12-13H,3,8-11H2