3-[[2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2,4-bis(chloranyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[(2,4-dichloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[2,4-dichloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2,4-dichloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(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=CC(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

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

InChI

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