5-azanyl-2-(4-ethanoylpiperazin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(4-ethanoylpiperazin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 2-(4-acetylpiperazin-1-yl)sulfonyl-5-amino-benzonitrile CAS Name: 2-[(4-acetyl-1-piperazinyl)sulfonyl]-5-aminobenzonitrile IUPAC Name: 2-(4-acetylpiperazin-1-yl)sulfonyl-5-aminobenzonitrile Traditional Name: 2-(4-acetylpiperazino)sulfonyl-5-amino-benzonitrile Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C13H16N4O3S/c1-10(18)16-4-6-17(7-5-16)21(19,20)13-3-2-12(15)8-11(13)9-14/h2-3,8H,4-7,15H2,1H3