2-[4-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-[4-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-[4-(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylpiperazino]pyrimidine Formula: C16H18Cl2N4O2S MolecularWeight: 401.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C)Cl

InChI

InChI=1S/C16H18Cl2N4O2S/c1-11-10-13(17)12(2)15(14(11)18)25(23,24)22-8-6-21(7-9-22)16-19-4-3-5-20-16/h3-5,10H,6-9H2,1-2H3