(E)-7-imidazol-1-yl-2-(3-methylsulfonylphenyl)hept-6-enoic acid

Systemtic Name: (E)-7-imidazol-1-yl-2-(3-methylsulfonylphenyl)hept-6-enoic acid Openeye Name: (E)-7-imidazol-1-yl-2-(3-methylsulfonylphenyl)hept-6-enoic acid CAS Name: (E)-7-(1-imidazolyl)-2-(3-methylsulfonylphenyl)-6-heptenoic acid IUPAC Name: (E)-7-imidazol-1-yl-2-(3-methylsulfonylphenyl)hept-6-enoic acid Traditional Name: (E)-7-imidazol-1-yl-2-(3-mesylphenyl)hept-6-enoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(CCCC=CN2C=CN=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(CCC/C=C/N2C=CN=C2)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-24(22,23)15-7-5-6-14(12-15)16(17(20)21)8-3-2-4-10-19-11-9-18-13-19/h4-7,9-13,16H,2-3,8H2,1H3,(H,20,21)/b10-4+