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

Systemtic Name: 2-imidazol-1-yl-2-(2-methylsulfonylphenyl)hept-6-enoic acid Openeye Name: 2-imidazol-1-yl-2-(2-methylsulfonylphenyl)hept-6-enoic acid CAS Name: 2-(1-imidazolyl)-2-(2-methylsulfonylphenyl)-6-heptenoic acid IUPAC Name: 2-imidazol-1-yl-2-(2-methylsulfonylphenyl)hept-6-enoic acid Traditional Name: 2-imidazol-1-yl-2-(2-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=C1C(CCCC=C)(C(=O)O)N2C=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(CCCC=C)(C(=O)O)N2C=CN=C2

InChI

InChI=1S/C17H20N2O4S/c1-3-4-7-10-17(16(20)21,19-12-11-18-13-19)14-8-5-6-9-15(14)24(2,22)23/h3,5-6,8-9,11-13H,1,4,7,10H2,2H3,(H,20,21)