3-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid CAS Name: 3-[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid IUPAC Name: 3-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]benzoic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H16N2O5S2/c19-15(17-12-5-3-4-11(8-12)16(20)21)14-9-13(10-24-14)25(22,23)18-6-1-2-7-18/h3-5,8-10H,1-2,6-7H2,(H,17,19)(H,20,21)