sodium 4-[[[4-(2-chloranyl-4-fluoranyl-phenyl)-2-ethoxycarbonyl-cyclohex-2-en-1-yl]sulfonylamino]methoxycarbonyloxy]butanoate

Systemtic Name: sodium 4-[[[4-(2-chloranyl-4-fluoranyl-phenyl)-2-ethoxycarbonyl-cyclohex-2-en-1-yl]sulfonylamino]methoxycarbonyloxy]butanoate Openeye Name: sodium 4-[[[4-(2-chloro-4-fluoro-phenyl)-2-ethoxycarbonyl-cyclohex-2-en-1-yl]sulfonylamino]methoxycarbonyloxy]butanoate CAS Name: sodium 4-[[[4-(2-chloro-4-fluorophenyl)-2-ethoxycarbonyl-1-cyclohex-2-enyl]sulfonylamino]methoxy-oxomethoxy]butanoate IUPAC Name: sodium 4-[[[4-(2-chloro-4-fluorophenyl)-2-ethoxycarbonylcyclohex-2-en-1-yl]sulfonylamino]methoxycarbonyloxy]butanoate Traditional Name: sodium 4-[[[2-carbethoxy-4-(2-chloro-4-fluoro-phenyl)cyclohex-2-en-1-yl]sulfonylamino]methoxycarbonyloxy]butyrate Formula: C21H24ClFNNaO9S MolecularWeight: 543.922733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(CCC1S(=O)(=O)NCOC(=O)OCCCC(=O)[O-])C2=C(C=C(C=C2)F)Cl.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC(CCC1S(=O)(=O)NCOC(=O)OCCCC(=O)[O-])C2=C(C=C(C=C2)F)Cl.[Na+]

InChI

InChI=1S/C21H25ClFNO9S.Na/c1-2-31-20(27)16-10-13(15-7-6-14(23)11-17(15)22)5-8-18(16)34(29,30)24-12-33-21(28)32-9-3-4-19(25)26;/h6-7,10-11,13,18,24H,2-5,8-9,12H2,1H3,(H,25,26);/q;+1/p-1