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

Systemtic Name: 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile CAS Name: 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c20-15-17-7-9-19(10-8-17)25(23,24)22-12-4-11-21(13-14-22)16-18-5-2-1-3-6-18/h1-3,5-10H,4,11-14,16H2