2-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 2-[[[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H19N3O6S/c1-19-11-12(27(24,25)20-6-8-26-9-7-20)10-15(19)16(21)18-14-5-3-2-4-13(14)17(22)23/h2-5,10-11H,6-9H2,1H3,(H,18,21)(H,22,23)