(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-chloro-3-pyrrolidinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O3S/c20-16-5-4-15(14-17(16)29(27,28)25-8-1-2-9-25)18(26)23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3-7,14H,1-2,8-13H2