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

Systemtic Name: 2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]pyrimidine CAS Name: 2-[4-[2-chloro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[2-chloro-4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]pyrimidine Formula: C21H28ClN5O3S MolecularWeight: 465.99672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5O3S/c1-31(28,29)27-13-11-25(12-14-27)16-17-3-4-20(19(22)15-17)30-18-5-9-26(10-6-18)21-23-7-2-8-24-21/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3