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

Systemtic Name: 2-(phenylsulfonylamino)-3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[propyl-[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]-propylamino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[propyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[propyl-[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCN(CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C27H32N6O5S/c1-2-15-33(20-24(26(35)36)30-39(37,38)23-7-4-3-5-8-23)25(34)21-9-11-22(12-10-21)31-16-18-32(19-17-31)27-28-13-6-14-29-27/h3-14,24,30H,2,15-20H2,1H3,(H,35,36)