4-[[4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]carbonyl]piperazin-2-one

Systemtic Name: 4-[[4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]carbonyl]piperazin-2-one Openeye Name: 4-[4-(3-oxopiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbonyl]piperazin-2-one CAS Name: 4-[oxo-[4-[(3-oxo-1-piperazinyl)sulfonyl]-1H-pyrrol-2-yl]methyl]-2-piperazinone IUPAC Name: 4-[4-(3-oxopiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbonyl]piperazin-2-one Traditional Name: 4-[4-(3-ketopiperazino)sulfonyl-1H-pyrrole-2-carbonyl]piperazin-2-one Formula: C13H17N5O5S MolecularWeight: 355.36958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C13H17N5O5S/c19-11-7-17(3-1-14-11)13(21)10-5-9(6-16-10)24(22,23)18-4-2-15-12(20)8-18/h5-6,16H,1-4,7-8H2,(H,14,19)(H,15,20)