3-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-morpholino-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-morpholino-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propionic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C20H21N3O5S2/c24-19(25)8-3-14-1-5-16(6-2-14)30(26,27)22-15-4-7-17-18(13-15)29-20(21-17)23-9-11-28-12-10-23/h1-2,4-7,13,22H,3,8-12H2,(H,24,25)