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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: 2-hydroxy-N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-5-pyrrol-1-yl-benzamide Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CO)NC(=O)C4=C(C=CC(=C4)N5C=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CO)NC(=O)C4=C(C=CC(=C4)N5C=CC=C5)O

InChI

InChI=1S/C26H28N4O6/c31-16-21(27-25(33)20-14-19(4-5-22(20)32)29-7-1-2-8-29)26(34)30-11-9-28(10-12-30)15-18-3-6-23-24(13-18)36-17-35-23/h1-8,13-14,21,31-32H,9-12,15-17H2,(H,27,33)/t21-/m0/s1