2-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid Formula: C19H17N3O7S2 MolecularWeight: 463.48418

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C19H17N3O7S2/c23-15-4-2-12(31(27,28)22-5-7-29-8-6-22)10-13(15)17(24)21-19-20-14-3-1-11(18(25)26)9-16(14)30-19/h1-4,9-10,23H,5-8H2,(H,25,26)(H,20,21,24)