4-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine

Systemtic Name: 4-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine Openeye Name: 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine CAS Name: 4-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazinyl]-6-ethoxy-2-methylpyrimidine IUPAC Name: 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine Traditional Name: 4-[4-(2,5-dichlorophenyl)sulfonylpiperazino]-6-ethoxy-2-methyl-pyrimidine Formula: C17H20Cl2N4O3S MolecularWeight: 431.3367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C17H20Cl2N4O3S/c1-3-26-17-11-16(20-12(2)21-17)22-6-8-23(9-7-22)27(24,25)15-10-13(18)4-5-14(15)19/h4-5,10-11H,3,6-9H2,1-2H3