2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C23H31N4O4S2+ MolecularWeight: 491.64664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H30N4O4S2/c1-4-31-20-7-5-19(6-8-20)27(33(29,30)22-11-9-21(32-3)10-12-22)17-23(28)25-24-18-13-15-26(2)16-14-18/h5-12H,4,13-17H2,1-3H3,(H,25,28)/p+1