2-butylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-butylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-butylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(butylthio)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-butylsulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(butylthio)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC

Isomeric SMILES

CCCCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC

InChI

InChI=1S/C18H29N3O3S2/c1-3-5-14-25-15-18(22)19-16-6-8-17(9-7-16)26(23,24)21-12-10-20(4-2)11-13-21/h6-9H,3-5,10-15H2,1-2H3,(H,19,22)/p+1