2,4-bis(chloranyl)-6-[ethanoyl-(4-piperidin-4-yloxyphenyl)sulfanyl-amino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-6-[ethanoyl-(4-piperidin-4-yloxyphenyl)sulfanyl-amino]benzoic acid Openeye Name: 2-[acetyl-[4-(4-piperidyloxy)phenyl]sulfanyl-amino]-4,6-dichloro-benzoic acid CAS Name: 2-[acetyl-[[4-(4-piperidinyloxy)phenyl]thio]amino]-4,6-dichlorobenzoic acid IUPAC Name: 2-[acetyl-(4-piperidin-4-yloxyphenyl)sulfanylamino]-4,6-dichlorobenzoic acid Traditional Name: 2-[acetyl-[[4-(4-piperidyloxy)phenyl]thio]amino]-4,6-dichloro-benzoic acid Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=CC(=C1C(=O)O)Cl)Cl)SC2=CC=C(C=C2)OC3CCNCC3

Isomeric SMILES

CC(=O)N(C1=CC(=CC(=C1C(=O)O)Cl)Cl)SC2=CC=C(C=C2)OC3CCNCC3

InChI

InChI=1S/C20H20Cl2N2O4S/c1-12(25)24(18-11-13(21)10-17(22)19(18)20(26)27)29-16-4-2-14(3-5-16)28-15-6-8-23-9-7-15/h2-5,10-11,15,23H,6-9H2,1H3,(H,26,27)