2-chloranyl-4-(4-ethylpiperazin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-(4-ethylpiperazin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 2-chloro-4-(4-ethylpiperazin-1-yl)sulfonyl-benzonitrile CAS Name: 2-chloro-4-[(4-ethyl-1-piperazinyl)sulfonyl]benzonitrile IUPAC Name: 2-chloro-4-(4-ethylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-chloro-4-(4-ethylpiperazino)sulfonyl-benzonitrile Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H16ClN3O2S/c1-2-16-5-7-17(8-6-16)20(18,19)12-4-3-11(10-15)13(14)9-12/h3-4,9H,2,5-8H2,1H3