3-morpholin-4-ylsulfonyl-4-propan-2-ylsulfanyl-benzoic acid

Systemtic Name: 3-morpholin-4-ylsulfonyl-4-propan-2-ylsulfanyl-benzoic acid Openeye Name: 4-isopropylsulfanyl-3-morpholinosulfonyl-benzoic acid CAS Name: 3-(4-morpholinylsulfonyl)-4-(propan-2-ylthio)benzoic acid IUPAC Name: 3-morpholin-4-ylsulfonyl-4-propan-2-ylsulfanylbenzoic acid Traditional Name: 4-(isopropylthio)-3-morpholinosulfonyl-benzoic acid Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C14H19NO5S2/c1-10(2)21-12-4-3-11(14(16)17)9-13(12)22(18,19)15-5-7-20-8-6-15/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)