3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-(3,5-dimethyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[4-[3,5-dimethyl-4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-(3,5-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[4-[3,5-dimethyl-4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C26H30N6O5S MolecularWeight: 538.6186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1C2=NC=CC=N2)C)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O5S/c1-18-16-31(17-19(2)32(18)26-27-13-6-14-28-26)21-11-9-20(10-12-21)24(33)29-15-23(25(34)35)30-38(36,37)22-7-4-3-5-8-22/h3-14,18-19,23,30H,15-17H2,1-2H3,(H,29,33)(H,34,35)