ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-(3-piperidinosulfonylphenyl)acetamide; oxalic acid Formula: C20H30N4O7S MolecularWeight: 470.5398

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N4O3S.C2H2O4/c1-20-10-12-21(13-11-20)15-18(23)19-16-6-5-7-17(14-16)26(24,25)22-8-3-2-4-9-22;3-1(4)2(5)6/h5-7,14H,2-4,8-13,15H2,1H3,(H,19,23);(H,3,4)(H,5,6)