[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: [4-(4-methoxyphenyl)sulfonylpiperazino]-[3-(2-pyrimidylamino)phenyl]methanone Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H23N5O4S/c1-31-19-6-8-20(9-7-19)32(29,30)27-14-12-26(13-15-27)21(28)17-4-2-5-18(16-17)25-22-23-10-3-11-24-22/h2-11,16H,12-15H2,1H3,(H,23,24,25)