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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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