3-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 3-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 3-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]benzoic acid CAS Name: 3-[4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolyl]benzoic acid IUPAC Name: 3-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 3-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H18N2O5S2/c23-20(24)16-3-1-2-15(12-16)19-21-18(13-28-19)14-4-6-17(7-5-14)29(25,26)22-8-10-27-11-9-22/h1-7,12-13H,8-11H2,(H,23,24)