(E)-6-(cyclopenten-1-yl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]hex-4-enoic acid

Systemtic Name: (E)-6-(cyclopenten-1-yl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]hex-4-enoic acid Openeye Name: (E)-6-(cyclopenten-1-yl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]hex-4-enoic acid CAS Name: (E)-6-(1-cyclopentenyl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]-4-hexenoic acid IUPAC Name: (E)-6-(cyclopenten-1-yl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]hex-4-enoic acid Traditional Name: (E)-6-(cyclopenten-1-yl)-2-[[(2-nitrophenyl)sulfonylamino]methyl]hex-4-enoic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C1)CC=CCC(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC=C(C1)C/C=C/CC(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H22N2O6S/c21-18(22)15(10-4-3-9-14-7-1-2-8-14)13-19-27(25,26)17-12-6-5-11-16(17)20(23)24/h3-7,11-12,15,19H,1-2,8-10,13H2,(H,21,22)/b4-3+