3-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(2-hydroxy-5-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O7S/c21-16-5-4-14(28(25,26)20-6-8-27-9-7-20)11-15(16)17(22)19-13-3-1-2-12(10-13)18(23)24/h1-5,10-11,21H,6-9H2,(H,19,22)(H,23,24)