2-(3-nitro-2-piperazin-1-yl-phenyl)sulfonylethanesulfonic acid

Systemtic Name: 2-(3-nitro-2-piperazin-1-yl-phenyl)sulfonylethanesulfonic acid Openeye Name: 2-(3-nitro-2-piperazin-1-yl-phenyl)sulfonylethanesulfonic acid CAS Name: 2-[3-nitro-2-(1-piperazinyl)phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-(3-nitro-2-piperazin-1-ylphenyl)sulfonylethanesulfonic acid Traditional Name: 2-(3-nitro-2-piperazino-phenyl)sulfonylethanesulfonic acid Formula: C12H17N3O7S2 MolecularWeight: 379.40928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CC=C2S(=O)(=O)CCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=CC=C2S(=O)(=O)CCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O7S2/c16-15(17)10-2-1-3-11(12(10)14-6-4-13-5-7-14)23(18,19)8-9-24(20,21)22/h1-3,13H,4-9H2,(H,20,21,22)