4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-2-one

Systemtic Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-2-one Openeye Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-2-one CAS Name: 4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-2-piperazinone IUPAC Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-2-one Traditional Name: 4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazin-2-one Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S/c19-14-10-16(8-5-15-14)12-4-3-11(9-13(12)18(20)21)24(22,23)17-6-1-2-7-17/h3-4,9H,1-2,5-8,10H2,(H,15,19)