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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-piperidin-1-ylsulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2,4-dichloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[2,4-dichloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(2,4-dichloro-5-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C19H18Cl2N2O5S MolecularWeight: 457.32762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O5S/c20-15-11-16(21)17(29(27,28)23-8-2-1-3-9-23)10-14(15)18(24)22-13-6-4-12(5-7-13)19(25)26/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,25,26)