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

Systemtic Name: 4-chloranyl-5-methyl-2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]pyrimidine Openeye Name: 4-chloro-5-methyl-2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidyl]pyrimidine CAS Name: 4-chloro-5-methyl-2-[4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidinyl]pyrimidine IUPAC Name: 4-chloro-5-methyl-2-[4-[4-(4-methylsulfonylphenyl)butyl]piperidin-1-yl]pyrimidine Traditional Name: 4-chloro-2-[4-[4-(4-mesylphenyl)butyl]piperidino]-5-methyl-pyrimidine Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1Cl)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CN=C(N=C1Cl)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H28ClN3O2S/c1-16-15-23-21(24-20(16)22)25-13-11-18(12-14-25)6-4-3-5-17-7-9-19(10-8-17)28(2,26)27/h7-10,15,18H,3-6,11-14H2,1-2H3