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

Systemtic Name: N-cyclopropyl-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C20H25N4O4S2+ MolecularWeight: 449.5669

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O4S2/c25-18(21-17-4-1-3-15(13-17)20(26)22-16-6-7-16)14-23-8-10-24(11-9-23)30(27,28)19-5-2-12-29-19/h1-5,12-13,16H,6-11,14H2,(H,21,25)(H,22,26)/p+1