4-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N4O4S/c1-16(2)17-5-9-20(10-6-17)31(29,30)26-13-11-25(12-14-26)15-21(27)24-19-7-3-18(4-8-19)22(23)28/h3-10,16H,11-15H2,1-2H3,(H2,23,28)(H,24,27)/p+1