ethanedioic acid; N-methylsulfonyl-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanimidamide

Systemtic Name: ethanedioic acid; N-methylsulfonyl-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanimidamide Openeye Name: N-methylsulfonyl-N'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]formamidine; oxalic acid CAS Name: N-methylsulfonyl-N'-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]methanimidamide; oxalic acid IUPAC Name: N-methylsulfonyl-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanimidamide; oxalic acid Traditional Name: N-mesyl-N'-[3-[3-(piperidinomethyl)phenoxy]propyl]formamidine; oxalic acid Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC=NCCCOC1=CC=CC(=C1)CN2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC=NCCCOC1=CC=CC(=C1)CN2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3S.C2H2O4/c1-24(21,22)19-15-18-9-6-12-23-17-8-5-7-16(13-17)14-20-10-3-2-4-11-20;3-1(4)2(5)6/h5,7-8,13,15H,2-4,6,9-12,14H2,1H3,(H,18,19);(H,3,4)(H,5,6)