2-[(5-bromanyl-4-morpholin-4-ylsulfonyl-thiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(5-bromanyl-4-morpholin-4-ylsulfonyl-thiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(5-bromo-4-morpholinosulfonyl-thiophene-2-carbonyl)amino]benzoic acid CAS Name: 2-[[[5-bromo-4-(4-morpholinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(5-bromo-4-morpholinosulfonyl-thiophene-2-carbonyl)amino]benzoic acid Formula: C16H15BrN2O6S2 MolecularWeight: 475.3341

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(SC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(SC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C16H15BrN2O6S2/c17-14-13(27(23,24)19-5-7-25-8-6-19)9-12(26-14)15(20)18-11-4-2-1-3-10(11)16(21)22/h1-4,9H,5-8H2,(H,18,20)(H,21,22)