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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazino]-2-keto-1-methylol-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C3=C(C=CC(=C3)N4C=CC=C4)O

InChI

InChI=1S/C26H28N4O5/c1-18(32)19-4-6-20(7-5-19)29-12-14-30(15-13-29)26(35)23(17-31)27-25(34)22-16-21(8-9-24(22)33)28-10-2-3-11-28/h2-11,16,23,31,33H,12-15,17H2,1H3,(H,27,34)/t23-/m0/s1