4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]ethyl]benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22N2O6S2/c22-19(23)16-5-3-15(4-6-16)11-12-20-28(24,25)17-7-9-18(10-8-17)29(26,27)21-13-1-2-14-21/h3-10,20H,1-2,11-14H2,(H,22,23)