N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(methylthio)propanamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-(methylthio)propionamide Formula: C20H33N4O4S2+ MolecularWeight: 457.63042

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S2/c1-3-22-7-9-23(10-8-22)19-5-4-17(16-18(19)21-20(25)6-15-29-2)30(26,27)24-11-13-28-14-12-24/h4-5,16H,3,6-15H2,1-2H3,(H,21,25)/p+1