ethanedioic acid; N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-yl-ethanamide

Systemtic Name: ethanedioic acid; N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-yl-ethanamide Openeye Name: oxalic acid; 2-(1-piperidyl)-N-[3-(p-tolylsulfonylamino)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-(1-piperidinyl)acetamide; oxalic acid IUPAC Name: N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide; oxalic acid Traditional Name: oxalic acid; 2-piperidino-N-[3-(tosylamino)phenyl]acetamide Formula: C22H27N3O7S MolecularWeight: 477.53068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O3S.C2H2O4/c1-16-8-10-19(11-9-16)27(25,26)22-18-7-5-6-17(14-18)21-20(24)15-23-12-3-2-4-13-23;3-1(4)2(5)6/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,21,24);(H,3,4)(H,5,6)