(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-bromo-5-pyrrolidinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H22BrN5O3S MolecularWeight: 480.37868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22BrN5O3S/c20-17-5-4-15(29(27,28)25-8-1-2-9-25)14-16(17)18(26)23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3-7,14H,1-2,8-13H2