N-[(3-fluorophenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(3-fluorophenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(3-fluorophenyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(3-fluorophenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-fluorobenzyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FN3O4S/c19-15-5-1-3-13(9-15)11-21-18(24)14-4-2-6-16(10-14)27(25,26)22-8-7-20-17(23)12-22/h1-6,9-10H,7-8,11-12H2,(H,20,23)(H,21,24)