5-(4-chlorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 5-(4-chlorophenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-(4-chlorophenyl)pyrimidine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-5-(4-chlorophenyl)pyrimidine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-(4-chlorophenyl)pyrimidine Traditional Name: 2-(4-besylpiperazino)-5-(4-chlorophenyl)pyrimidine Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4O2S/c21-18-8-6-16(7-9-18)17-14-22-20(23-15-17)24-10-12-25(13-11-24)28(26,27)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2