(2S)-1-[2-[2-(3-oxidanylidenepiperazin-1-yl)sulfonylethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[2-(3-oxidanylidenepiperazin-1-yl)sulfonylethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[2-(3-oxopiperazin-1-yl)sulfonylethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[2-[(3-oxo-1-piperazinyl)sulfonyl]ethylamino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[2-(3-oxopiperazin-1-yl)sulfonylethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[2-(3-ketopiperazino)sulfonylethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C13H21N5O4S MolecularWeight: 343.40194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCS(=O)(=O)N2CCNC(=O)C2)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCCS(=O)(=O)N2CCNC(=O)C2)C#N

InChI

InChI=1S/C13H21N5O4S/c14-8-11-2-1-5-18(11)13(20)9-15-4-7-23(21,22)17-6-3-16-12(19)10-17/h11,15H,1-7,9-10H2,(H,16,19)/t11-/m0/s1