N-tert-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-tert-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-tert-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-tert-butyl-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-tert-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-tert-butyl-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-21(2,3)23-20(26)16-5-4-6-19(15-16)29(27,28)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h4-10,15H,11-14H2,1-3H3,(H,23,26)