4-chloranyl-5-methoxy-2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]pyrimidine

Systemtic Name: 4-chloranyl-5-methoxy-2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]pyrimidine Openeye Name: 4-chloro-5-methoxy-2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidyl]pyrimidine CAS Name: 4-chloro-5-methoxy-2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidinyl]pyrimidine IUPAC Name: 4-chloro-5-methoxy-2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]pyrimidine Traditional Name: 4-chloro-2-[4-[4-(4-mesylphenyl)butyl]piperidino]-5-methoxy-pyrimidine Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1Cl)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CN=C(N=C1Cl)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H28ClN3O3S/c1-28-19-15-23-21(24-20(19)22)25-13-11-17(12-14-25)6-4-3-5-16-7-9-18(10-8-16)29(2,26)27/h7-10,15,17H,3-6,11-14H2,1-2H3