5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-pyrimidine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-pyrimidine Openeye Name: 2-phenyl-4-(1-piperidyl)-5-(p-tolylsulfonyl)pyrimidine CAS Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-(1-piperidinyl)pyrimidine IUPAC Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidin-1-ylpyrimidine Traditional Name: 2-phenyl-4-piperidino-5-tosyl-pyrimidine Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-17-10-12-19(13-11-17)28(26,27)20-16-23-21(18-8-4-2-5-9-18)24-22(20)25-14-6-3-7-15-25/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3