2-[4-(4-methanoyl-2-nitro-phenyl)piperazin-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(4-methanoyl-2-nitro-phenyl)piperazin-1-yl]ethanesulfonic acid Openeye Name: 2-[4-(4-formyl-2-nitro-phenyl)piperazin-1-yl]ethanesulfonic acid CAS Name: 2-[4-(4-formyl-2-nitrophenyl)-1-piperazinyl]ethanesulfonic acid IUPAC Name: 2-[4-(4-formyl-2-nitrophenyl)piperazin-1-yl]ethanesulfonic acid Traditional Name: 2-[4-(4-formyl-2-nitro-phenyl)piperazino]ethanesulfonic acid Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)O)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)O)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S/c17-10-11-1-2-12(13(9-11)16(18)19)15-5-3-14(4-6-15)7-8-23(20,21)22/h1-2,9-10H,3-8H2,(H,20,21,22)