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

Systemtic Name: 2-(phenylsulfonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C24H26N6O5S MolecularWeight: 510.56544

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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)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)C4=NC=CC=N4

InChI

InChI=1S/C24H26N6O5S/c31-22(27-17-21(23(32)33)28-36(34,35)20-5-2-1-3-6-20)18-7-9-19(10-8-18)29-13-15-30(16-14-29)24-25-11-4-12-26-24/h1-12,21,28H,13-17H2,(H,27,31)(H,32,33)