4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(3-nitrophenyl)sulfonylpiperazino]butyric acid Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O7S/c18-13(4-5-14(19)20)15-6-8-16(9-7-15)25(23,24)12-3-1-2-11(10-12)17(21)22/h1-3,10H,4-9H2,(H,19,20)