N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-2-(methylthio)benzamide Formula: C24H33N4O4S2+ MolecularWeight: 505.67322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C24H32N4O4S2/c1-3-26-10-12-27(13-11-26)22-9-8-19(34(30,31)28-14-16-32-17-15-28)18-21(22)25-24(29)20-6-4-5-7-23(20)33-2/h4-9,18H,3,10-17H2,1-2H3,(H,25,29)/p+1