3-(tert-butylsulfamoyl)-4-chloranyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3-(tert-butylsulfamoyl)-4-chloranyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(tert-butylsulfamoyl)-4-chloro-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide CAS Name: 3-(tert-butylsulfamoyl)-4-chloro-N-[4-(3-oxo-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-(tert-butylsulfamoyl)-4-chloro-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-N-[4-(3-ketopiperazino)phenyl]benzamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C21H25ClN4O4S/c1-21(2,3)25-31(29,30)18-12-14(4-9-17(18)22)20(28)24-15-5-7-16(8-6-15)26-11-10-23-19(27)13-26/h4-9,12,25H,10-11,13H2,1-3H3,(H,23,27)(H,24,28)