N-[(2S)-1-(morpholin-4-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[(2S)-1-(morpholin-4-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(morpholinoamino)-2-oxo-ethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-(4-morpholinylamino)-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(morpholinoamino)ethyl]-2H-benzotriazole-5-carboxamide Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)C(CO)NC(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

C1COCCN1NC(=O)[C@H](CO)NC(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C14H18N6O4/c21-8-12(14(23)18-20-3-5-24-6-4-20)15-13(22)9-1-2-10-11(7-9)17-19-16-10/h1-2,7,12,21H,3-6,8H2,(H,15,22)(H,18,23)(H,16,17,19)/t12-/m0/s1