4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N(C1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(=O)N(C1)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3O3S/c24-21-8-6-20-13-22(9-7-19(20)12-21)31(29,30)27-11-1-10-26(23(28)16-27)15-18-4-2-17(14-25)3-5-18/h2-9,12-13H,1,10-11,15-16H2