1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-3-(2-pyrimidylamino)propan-1-one Formula: C17H20N6O5S MolecularWeight: 420.4429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC2=NC=CC=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCNC2=NC=CC=N2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O5S/c24-16(6-9-20-17-18-7-3-8-19-17)21-10-12-22(13-11-21)29(27,28)15-5-2-1-4-14(15)23(25)26/h1-5,7-8H,6,9-13H2,(H,18,19,20)