4-ethylsulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-ethylsulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-ethylsulfanyl-3-morpholinosulfonyl-benzoic acid CAS Name: 4-(ethylthio)-3-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 4-ethylsulfanyl-3-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-(ethylthio)-3-morpholinosulfonyl-benzoic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C13H17NO5S2/c1-2-20-11-4-3-10(13(15)16)9-12(11)21(17,18)14-5-7-19-8-6-14/h3-4,9H,2,5-8H2,1H3,(H,15,16)