3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanylamino]-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]-2-[[(3-nitro-2-pyridinyl)thio]amino]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid Traditional Name: 2-[[(3-nitro-2-pyridyl)thio]amino]-3-(1-tosylimidazol-4-yl)propionic acid Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)O)NSC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)O)NSC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S2/c1-12-4-6-14(7-5-12)31(28,29)22-10-13(20-11-22)9-15(18(24)25)21-30-17-16(23(26)27)3-2-8-19-17/h2-8,10-11,15,21H,9H2,1H3,(H,24,25)