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

Systemtic Name: 4-chloranyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-chloro-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid CAS Name: 4-chloro-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-chloro-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-chloro-2-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]benzoic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6S2/c18-12-3-8-15(17(21)22)16(11-12)19-27(23,24)13-4-6-14(7-5-13)28(25,26)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10H2,(H,21,22)