(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-(4-tosylpiperazino)methanone Formula: C22H26ClN3O5S2 MolecularWeight: 512.04194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H26ClN3O5S2/c1-17-4-6-18(7-5-17)32(28,29)26-14-12-24(13-15-26)22(27)20-16-19(8-9-21(20)23)33(30,31)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3