4-[4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-pyrimidine

Systemtic Name: 4-[4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-pyrimidine Openeye Name: 4-[4-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]methyl]piperazin-1-yl]-2-methyl-pyrimidine CAS Name: 4-[4-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]methyl]-1-piperazinyl]-2-methylpyrimidine IUPAC Name: 4-[4-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidine Traditional Name: 4-[4-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]methyl]piperazino]-2-methyl-pyrimidine Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCN(CC2)CC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC=CC(=N1)N2CCN(CC2)CC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN5O2S/c1-17-23-9-6-21(24-17)26-14-12-25(13-15-26)16-18-7-10-27(11-8-18)30(28,29)20-4-2-19(22)3-5-20/h2-6,9,18H,7-8,10-16H2,1H3