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

Systemtic Name: 4-[4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-chloro-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-chloro-2,5-dimethyl-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C21H28ClN5O2S/c1-16-13-19(17(2)12-18(16)22)30(28,29)27-10-8-26(9-11-27)21-14-20(23-15-24-21)25-6-4-3-5-7-25/h12-15H,3-11H2,1-2H3