sodium 4-[[(2-chloranyl-4-fluoranyl-phenyl)-(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonyl-amino]methoxycarbonyloxy]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1S(=O)(=O)N(COC(=O)OCCCC(=O)[O-])C2=C(C=C(C=C2)F)Cl.[Na+]

Isomeric SMILES

CCOC(=O)C1=CCCCC1S(=O)(=O)N(COC(=O)OCCCC(=O)[O-])C2=C(C=C(C=C2)F)Cl.[Na+]

InChI

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