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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O5S/c21-17-6-1-13(11-18(17)22)12-30(28,29)24-9-7-14(8-10-24)19(25)23-16-4-2-15(3-5-16)20(26)27/h1-6,11,14H,7-10,12H2,(H,23,25)(H,26,27)