4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[[4-(2-thenyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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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=CS3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)CC3=CC=CS3

InChI

InChI=1S/C17H19N3O2S2/c18-13-15-4-6-17(7-5-15)24(21,22)20-9-2-8-19(10-11-20)14-16-3-1-12-23-16/h1,3-7,12H,2,8-11,14H2