N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(4-morpholinylmethyl)benzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide Traditional Name: 3-hydroxy-N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]-5-(morpholinomethyl)benzamide Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC(=C2)C(=O)NC(CO)C(=O)NCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC(=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H27N3O7/c27-13-19(23(30)24-11-15-1-2-20-21(9-15)33-14-32-20)25-22(29)17-7-16(8-18(28)10-17)12-26-3-5-31-6-4-26/h1-2,7-10,19,27-28H,3-6,11-14H2,(H,24,30)(H,25,29)/t19-/m0/s1