4-(4-nitrophenyl)sulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)sulfonyl-N-[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)sulfonyl-N-[4-(2-oxolanylmethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)sulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-nosyl-N-[4-(tetrahydrofurfurylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C22H27N5O7S3 MolecularWeight: 569.67408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O7S3/c28-27(29)18-5-9-21(10-6-18)37(32,33)26-13-11-25(12-14-26)22(35)24-17-3-7-20(8-4-17)36(30,31)23-16-19-2-1-15-34-19/h3-10,19,23H,1-2,11-16H2,(H,24,35)