4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenoxy)pyrimidine

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenoxy)pyrimidine Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenoxy)pyrimidine CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-6-(4-methylphenoxy)pyrimidine IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylphenoxy)pyrimidine Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]-6-(4-methylphenoxy)pyrimidine Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-16-2-6-18(7-3-16)29-21-14-20(23-15-24-21)25-10-12-26(13-11-25)30(27,28)19-8-4-17(22)5-9-19/h2-9,14-15H,10-13H2,1H3