N-(N'-methylcarbamimidoyl)-4-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-phenoxy-benzamide

Systemtic Name: N-(N'-methylcarbamimidoyl)-4-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-phenoxy-benzamide Openeye Name: N-(N'-methylcarbamimidoyl)-4-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-phenoxy-benzamide CAS Name: N-[amino(methylimino)methyl]-4-[(1-methyl-1-piperazin-1-iumyl)sulfonyl]-2-phenoxybenzamide IUPAC Name: N-(N'-methylcarbamimidoyl)-4-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-phenoxybenzamide Traditional Name: N-(N'-methylamidino)-4-(1-methylpiperazin-1-ium-1-yl)sulfonyl-2-phenoxy-benzamide Formula: C20H26N5O4S+ MolecularWeight: 432.51654

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C)OC3=CC=CC=C3

Isomeric SMILES

CN=C(N)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCNCC2)C)OC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4S/c1-22-20(21)24-19(26)17-9-8-16(14-18(17)29-15-6-4-3-5-7-15)30(27,28)25(2)12-10-23-11-13-25/h3-9,14,23H,10-13H2,1-2H3,(H2-,21,22,24,26)/p+1