1-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[methyl(tosyl)amino]phenoxy]acetyl]isonipecotic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-16-3-9-20(10-4-16)31(28,29)23(2)18-5-7-19(8-6-18)30-15-21(25)24-13-11-17(12-14-24)22(26)27/h3-10,17H,11-15H2,1-2H3,(H,26,27)