N-butan-2-yl-5-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-2-piperazin-1-yl-benzamide

Systemtic Name: N-butan-2-yl-5-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-2-piperazin-1-yl-benzamide Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-2-piperazin-1-yl-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-(1-piperazinyl)benzamide IUPAC Name: N-butan-2-yl-5-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-piperazin-1-ylbenzamide Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-2-piperazino-N-sec-butyl-benzamide Formula: C21H26ClFN4O3S MolecularWeight: 468.972543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl)N3CCNCC3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl)N3CCNCC3

InChI

InChI=1S/C21H26ClFN4O3S/c1-3-14(2)25-21(28)17-12-15(4-7-20(17)27-10-8-24-9-11-27)26-31(29,30)16-5-6-19(23)18(22)13-16/h4-7,12-14,24,26H,3,8-11H2,1-2H3,(H,25,28)