ethanedioic acid; N-(3-morpholin-4-ylsulfonylphenyl)-2-(oxolan-2-ylmethylamino)propanamide

Systemtic Name: ethanedioic acid; N-(3-morpholin-4-ylsulfonylphenyl)-2-(oxolan-2-ylmethylamino)propanamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-(tetrahydrofuran-2-ylmethylamino)propanamide; oxalic acid CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-(2-oxolanylmethylamino)propanamide; oxalic acid IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(oxolan-2-ylmethylamino)propanamide; oxalic acid Traditional Name: N-(3-morpholinosulfonylphenyl)-2-(tetrahydrofurfurylamino)propionamide; oxalic acid Formula: C20H29N3O9S MolecularWeight: 487.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NCC3CCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NCC3CCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O5S.C2H2O4/c1-14(19-13-16-5-3-9-26-16)18(22)20-15-4-2-6-17(12-15)27(23,24)21-7-10-25-11-8-21;3-1(4)2(5)6/h2,4,6,12,14,16,19H,3,5,7-11,13H2,1H3,(H,20,22);(H,3,4)(H,5,6)