2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonyl-pyrrolidin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonyl-pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonyl-pyrrolidin-2-yl]acetic acid CAS Name: 2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonyl-2-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonylpyrrolidin-2-yl]acetic acid Traditional Name: 2-[1-(4-nitro-1H-benzimidazol-2-yl)-3-sulfonyl-pyrrolidin-2-yl]acetic acid Formula: C13H12N4O6S MolecularWeight: 352.32258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1=S(=O)=O)CC(=O)O)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C1=S(=O)=O)CC(=O)O)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6S/c18-11(19)6-9-10(24(22)23)4-5-16(9)13-14-7-2-1-3-8(17(20)21)12(7)15-13/h1-3,9H,4-6H2,(H,14,15)(H,18,19)