2,4-bis(chloranyl)-6-[2-(4-piperidin-4-yloxyphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-[2-(4-piperidin-4-yloxyphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 2,4-dichloro-6-[[2-[4-(4-piperidyloxy)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2,4-dichloro-6-[[1-oxo-2-[[4-(4-piperidinyloxy)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-6-[[2-(4-piperidin-4-yloxyphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2,4-dichloro-6-[[2-[[4-(4-piperidyloxy)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)SCC(=O)NC3=CC(=CC(=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)SCC(=O)NC3=CC(=CC(=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O4S/c21-12-9-16(22)19(20(26)27)17(10-12)24-18(25)11-29-15-3-1-13(2-4-15)28-14-5-7-23-8-6-14/h1-4,9-10,14,23H,5-8,11H2,(H,24,25)(H,26,27)