3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-(4-sulfanilylpiperazino)propionitrile Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H18N4O2S/c14-6-1-7-16-8-10-17(11-9-16)20(18,19)13-4-2-12(15)3-5-13/h2-5H,1,7-11,15H2