N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4S2/c21-18-7-2-1-4-16(18)14-29-11-9-23-20(26)15-5-3-6-17(12-15)30(27,28)24-10-8-22-19(25)13-24/h1-7,12H,8-11,13-14H2,(H,22,25)(H,23,26)