N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(furan-2-ylmethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(furan-2-ylmethylamino)ethanamide; ethanedioic acid Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(2-furylmethylamino)acetamide; oxalic acid CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(2-furanylmethylamino)acetamide; oxalic acid IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(2-furfurylamino)acetamide; oxalic acid Formula: C20H24ClN3O8S MolecularWeight: 501.93786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22ClN3O4S.C2H2O4/c19-16-7-6-15(27(24,25)22-8-2-1-3-9-22)11-17(16)21-18(23)13-20-12-14-5-4-10-26-14;3-1(4)2(5)6/h4-7,10-11,20H,1-3,8-9,12-13H2,(H,21,23);(H,3,4)(H,5,6)