N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)F

InChI

InChI=1S/C19H20FN3O4S/c1-13-9-14(5-6-17(13)20)11-22-19(25)15-3-2-4-16(10-15)28(26,27)23-8-7-21-18(24)12-23/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,24)(H,22,25)