4-(2-acetamido-4-piperidin-1-ylsulfonyl-phenoxy)benzoic acid

Systemtic Name: 4-(2-acetamido-4-piperidin-1-ylsulfonyl-phenoxy)benzoic acid Openeye Name: 4-[2-acetamido-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-acetamido-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-(2-acetamido-4-piperidin-1-ylsulfonylphenoxy)benzoic acid Traditional Name: 4-(2-acetamido-4-piperidinosulfonyl-phenoxy)benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-14(23)21-18-13-17(29(26,27)22-11-3-2-4-12-22)9-10-19(18)28-16-7-5-15(6-8-16)20(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)(H,24,25)