4,6-dimethyl-2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine

Systemtic Name: 4,6-dimethyl-2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine Openeye Name: 4,6-dimethyl-2-[4-[4-(2-thienyl)phenyl]sulfonyl-1-piperidyl]pyrimidine CAS Name: 4,6-dimethyl-2-[4-(4-thiophen-2-ylphenyl)sulfonyl-1-piperidinyl]pyrimidine IUPAC Name: 4,6-dimethyl-2-[4-(4-thiophen-2-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine Traditional Name: 4,6-dimethyl-2-[4-[4-(2-thienyl)phenyl]sulfonylpiperidino]pyrimidine Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O2S2/c1-15-14-16(2)23-21(22-15)24-11-9-19(10-12-24)28(25,26)18-7-5-17(6-8-18)20-4-3-13-27-20/h3-8,13-14,19H,9-12H2,1-2H3