1-[2-[4-[methyl-(phenylmethyl)sulfamoyl]phenoxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-[methyl-(phenylmethyl)sulfamoyl]phenoxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-[methyl-(phenylmethyl)sulfamoyl]phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]isonipecotic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-23(15-17-5-3-2-4-6-17)31(28,29)20-9-7-19(8-10-20)30-16-21(25)24-13-11-18(12-14-24)22(26)27/h2-10,18H,11-16H2,1H3,(H,26,27)