3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid CAS Name: 3-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]benzoic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c20-17(21)13-4-3-5-14(12-13)18-26(22,23)15-6-8-16(9-7-15)27(24,25)19-10-1-2-11-19/h3-9,12,18H,1-2,10-11H2,(H,20,21)