2-butylsulfanyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide

Systemtic Name: 2-butylsulfanyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide Openeye Name: 2-butylsulfanyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide CAS Name: 2-(butylthio)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-butylsulfanyl-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(butylthio)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide Formula: C18H30N3O4S2+ MolecularWeight: 416.5785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S2/c1-4-5-12-26-14-18(22)19-16-13-15(6-7-17(16)25-3)27(23,24)21-10-8-20(2)9-11-21/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,19,22)/p+1