N,N-diethyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H29N4O4S2+ MolecularWeight: 465.60936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H28N4O4S2/c1-3-24(4-2)21(27)17-7-5-8-18(15-17)22-19(26)16-23-10-12-25(13-11-23)31(28,29)20-9-6-14-30-20/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,22,26)/p+1