2-[(4-thiomorpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(4-thiomorpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(4-thiomorpholinosulfonylthiophene-2-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-(4-thiomorpholin-4-ylsulfonyl-2-thiophenyl)methyl]amino]benzoic acid IUPAC Name: 2-[(4-thiomorpholin-4-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(4-thiomorpholinosulfonylthiophene-2-carbonyl)amino]benzoic acid Formula: C16H16N2O5S3 MolecularWeight: 412.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H16N2O5S3/c19-15(17-13-4-2-1-3-12(13)16(20)21)14-9-11(10-25-14)26(22,23)18-5-7-24-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21)