ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanamide

Systemtic Name: ethanedioic acid; N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide; oxalic acid CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperidinyl]acetamide; oxalic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-(4-benzylpiperidino)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide; oxalic acid Formula: C27H35N3O8S MolecularWeight: 561.6471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O4S.C2H2O4/c1-20-7-8-23(33(30,31)28-13-15-32-16-14-28)18-24(20)26-25(29)19-27-11-9-22(10-12-27)17-21-5-3-2-4-6-21;3-1(4)2(5)6/h2-8,18,22H,9-17,19H2,1H3,(H,26,29);(H,3,4)(H,5,6)