4-butylsulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-butylsulfanyl-3-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-butylsulfanyl-3-morpholinosulfonyl-benzoic acid CAS Name: 4-(butylthio)-3-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 4-butylsulfanyl-3-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-(butylthio)-3-morpholinosulfonyl-benzoic acid Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C15H21NO5S2/c1-2-3-10-22-13-5-4-12(15(17)18)11-14(13)23(19,20)16-6-8-21-9-7-16/h4-5,11H,2-3,6-10H2,1H3,(H,17,18)