4-[[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C17H18BrN3O2S2 MolecularWeight: 440.37772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H18BrN3O2S2/c18-16-6-7-17(24-16)25(22,23)21-9-1-8-20(10-11-21)13-15-4-2-14(12-19)3-5-15/h2-7H,1,8-11,13H2