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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-naphthylthio)acetamide Formula: C23H26N3O3S2+ MolecularWeight: 456.60084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25N3O3S2/c1-25-12-14-26(15-13-25)31(28,29)22-10-7-20(8-11-22)24-23(27)17-30-21-9-6-18-4-2-3-5-19(18)16-21/h2-11,16H,12-15,17H2,1H3,(H,24,27)/p+1