4-[[2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[(2,4-dichloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 4-[[[2,4-dichloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,4-dichloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(2,4-dichloro-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H16Cl2N2O5S MolecularWeight: 443.30104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O5S/c19-14-10-15(20)16(28(26,27)22-7-1-2-8-22)9-13(14)17(23)21-12-5-3-11(4-6-12)18(24)25/h3-6,9-10H,1-2,7-8H2,(H,21,23)(H,24,25)