[4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)piperazino]-phenyl-methanone Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4S/c23-19-9-8-18(16-20(19)31(29,30)26-10-4-5-11-26)22(28)25-14-12-24(13-15-25)21(27)17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15H2