4-[4-(3-chloranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3-chloranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(3-chloro-2-methyl-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(3-chloro-2-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(3-chloro-2-methyl-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C20H26ClN5O2S MolecularWeight: 435.97074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN5O2S/c1-16-17(21)6-5-7-18(16)29(27,28)26-12-10-25(11-13-26)20-14-19(22-15-23-20)24-8-3-2-4-9-24/h5-7,14-15H,2-4,8-13H2,1H3