2-azanyl-4-(cyanomethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[4-(benzenesulfonyl)piperazin-1-yl]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[4-(benzenesulfonyl)-1-piperazinyl]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[4-(benzenesulfonyl)piperazin-1-yl]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(4-besylpiperazino)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C19H18N7O2S+ MolecularWeight: 408.45692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N7O2S/c20-7-6-15-16(12-21)18(23)24-19(17(15)13-22)25-8-10-26(11-9-25)29(27,28)14-4-2-1-3-5-14/h1-5H,6,8-11H2,(H2,23,24)/p+1