4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H24N4O4S/c24-23(29)18-5-8-20(9-6-18)25-22(28)16-26-11-13-27(14-12-26)32(30,31)21-10-7-17-3-1-2-4-19(17)15-21/h1-10,15H,11-14,16H2,(H2,24,29)(H,25,28)/p+1