4-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 4-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C19H17ClN4O2S2 MolecularWeight: 432.94688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN4O2S2/c20-15-4-7-17-18(12-15)27-19(22-17)23-8-1-9-24(11-10-23)28(25,26)16-5-2-14(13-21)3-6-16/h2-7,12H,1,8-11H2