3-[[2-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[2-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[2-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[2-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[2-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[2-nitro-4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C24H25N7O7S MolecularWeight: 555.563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C24H25N7O7S/c32-22(27-16-20(23(33)34)28-39(37,38)18-5-2-1-3-6-18)19-8-7-17(15-21(19)31(35)36)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h1-10,15,20,28H,11-14,16H2,(H,27,32)(H,33,34)