5-bromanyl-2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine

Systemtic Name: 5-bromanyl-2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Openeye Name: 5-bromo-2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]pyrimidine CAS Name: 5-bromo-2-[4-[2-chloro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]pyrimidine IUPAC Name: 5-bromo-2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Traditional Name: 5-bromo-2-[4-[2-chloro-4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]pyrimidine Formula: C21H27BrClN5O3S MolecularWeight: 544.89278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)Br)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)Br)Cl

InChI

InChI=1S/C21H27BrClN5O3S/c1-32(29,30)28-10-8-26(9-11-28)15-16-2-3-20(19(23)12-16)31-18-4-6-27(7-5-18)21-24-13-17(22)14-25-21/h2-3,12-14,18H,4-11,15H2,1H3