4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)sulfanyl-3-morpholinosulfonyl-benzoic acid CAS Name: 4-[(2-methoxy-2-oxoethyl)thio]-3-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)sulfanyl-3-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-[(2-keto-2-methoxy-ethyl)thio]-3-morpholinosulfonyl-benzoic acid Formula: C14H17NO7S2 MolecularWeight: 375.41728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C14H17NO7S2/c1-21-13(16)9-23-11-3-2-10(14(17)18)8-12(11)24(19,20)15-4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)