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

Systemtic Name: 2-butylsulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-butylsulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(butylthio)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-butylsulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(butylthio)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S2/c1-3-4-13-24-14-17(21)18-15-5-7-16(8-6-15)25(22,23)20-11-9-19(2)10-12-20/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)/p+1