N-carbamimidoyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]-3-(trifluoromethyl)benzamide

Systemtic Name: N-carbamimidoyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]-3-(trifluoromethyl)benzamide Openeye Name: N-carbamimidoyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]-3-(trifluoromethyl)benzamide CAS Name: N-carbamimidoyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenoxy]-3-(trifluoromethyl)benzamide IUPAC Name: N-carbamimidoyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]-3-(trifluoromethyl)benzamide Traditional Name: N-amidino-N-[4-(4-methylpiperazino)sulfonylphenoxy]-3-(trifluoromethyl)benzamide Formula: C20H22F3N5O4S MolecularWeight: 485.47999

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)ON(C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N

InChI

InChI=1S/C20H22F3N5O4S/c1-26-9-11-27(12-10-26)33(30,31)17-7-5-16(6-8-17)32-28(19(24)25)18(29)14-3-2-4-15(13-14)20(21,22)23/h2-8,13H,9-12H2,1H3,(H3,24,25)