4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[(2,4-dichlorophenyl)methylsulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2,4-dichlorobenzyl)sulfonylnipecotoyl]amino]benzoic acid Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20Cl2N2O5S/c21-16-6-3-15(18(22)10-16)12-30(28,29)24-9-1-2-14(11-24)19(25)23-17-7-4-13(5-8-17)20(26)27/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)(H,26,27)