ethanedioic acid; N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(3-morpholin-4-ylpropylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(3-morpholin-4-ylpropylamino)ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(3-morpholinopropylamino)acetamide; oxalic acid CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[3-(4-morpholinyl)propylamino]acetamide; oxalic acid IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide; oxalic acid Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(3-morpholinopropylamino)acetamide; oxalic acid Formula: C23H36N4O8S MolecularWeight: 528.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNCCCN2CCOCC2)S(=O)(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNCCCN2CCOCC2)S(=O)(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N4O4S.C2H2O4/c1-18-6-7-19(16-20(18)30(27,28)25-10-3-2-4-11-25)23-21(26)17-22-8-5-9-24-12-14-29-15-13-24;3-1(4)2(5)6/h6-7,16,22H,2-5,8-15,17H2,1H3,(H,23,26);(H,3,4)(H,5,6)