ethanedioic acid; 2-(furan-2-ylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-(furan-2-ylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(2-furylmethylamino)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide; oxalic acid CAS Name: 2-(2-furanylmethylamino)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide; oxalic acid IUPAC Name: 2-(furan-2-ylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide; oxalic acid Traditional Name: 2-(2-furfurylamino)-N-(3-piperidinosulfonylphenyl)acetamide; oxalic acid Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S.C2H2O4/c22-18(14-19-13-16-7-5-11-25-16)20-15-6-4-8-17(12-15)26(23,24)21-9-2-1-3-10-21;3-1(4)2(5)6/h4-8,11-12,19H,1-3,9-10,13-14H2,(H,20,22);(H,3,4)(H,5,6)