2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: 2-[[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H28N4O5S/c1-14(2)20-17(23)12-19-18(24)13-21-8-10-22(11-9-21)28(25,26)16-6-4-15(27-3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,19,24)(H,20,23)/p+1