N-(cyanomethyl)-N-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]nitrous amide

Systemtic Name: N-(cyanomethyl)-N-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]nitrous amide Openeye Name: N-(cyanomethyl)-N-[4-(p-tolylsulfonyl)piperazin-1-yl]nitrous amide CAS Name: N-(cyanomethyl)-N-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]nitrous amide IUPAC Name: N-(cyanomethyl)-N-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]nitrous amide Traditional Name: N-(cyanomethyl)-N-(4-tosylpiperazino)nitrous amide Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)N(CC#N)N=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)N(CC#N)N=O

InChI

InChI=1S/C13H17N5O3S/c1-12-2-4-13(5-3-12)22(20,21)17-10-8-16(9-11-17)18(15-19)7-6-14/h2-5H,7-11H2,1H3