3-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]propyl-dimethyl-ammonium Formula: C22H32N3O4S2+ MolecularWeight: 466.63718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H31N3O4S2/c1-5-29-19-9-7-18(8-10-19)25(17-22(26)23-15-6-16-24(2)3)31(27,28)21-13-11-20(30-4)12-14-21/h7-14H,5-6,15-17H2,1-4H3,(H,23,26)/p+1