4-[2-(2-methylsulfanylethanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-(2-methylsulfanylethanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(2-methylsulfanylacetyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[2-(methylthio)-1-oxoethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(2-methylsulfanylacetyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[[2-(methylthio)acetyl]amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-30-14-20(24)22-18-13-17(31(27,28)23-11-3-2-4-12-23)9-10-19(18)29-16-7-5-15(6-8-16)21(25)26/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)(H,25,26)