4-[[1-(2-bromophenyl)sulfonyl-4-methyl-piperidin-4-yl]-piperazin-1-yl-methyl]-2-methyl-pyrimidine

Systemtic Name: 4-[[1-(2-bromophenyl)sulfonyl-4-methyl-piperidin-4-yl]-piperazin-1-yl-methyl]-2-methyl-pyrimidine Openeye Name: 4-[[1-(2-bromophenyl)sulfonyl-4-methyl-4-piperidyl]-piperazin-1-yl-methyl]-2-methyl-pyrimidine CAS Name: 4-[[1-(2-bromophenyl)sulfonyl-4-methyl-4-piperidinyl]-(1-piperazinyl)methyl]-2-methylpyrimidine IUPAC Name: 4-[[1-(2-bromophenyl)sulfonyl-4-methylpiperidin-4-yl]-piperazin-1-ylmethyl]-2-methylpyrimidine Traditional Name: 4-[[1-(2-bromophenyl)sulfonyl-4-methyl-4-piperidyl]-piperazino-methyl]-2-methyl-pyrimidine Formula: C22H30BrN5O2S MolecularWeight: 508.4749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C(C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br)C)N4CCNCC4

Isomeric SMILES

CC1=NC=CC(=N1)C(C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br)C)N4CCNCC4

InChI

InChI=1S/C22H30BrN5O2S/c1-17-25-10-7-19(26-17)21(27-15-11-24-12-16-27)22(2)8-13-28(14-9-22)31(29,30)20-6-4-3-5-18(20)23/h3-7,10,21,24H,8-9,11-16H2,1-2H3