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

Systemtic Name: 2-[(2-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[2-ethoxy-N-(p-tolylsulfonyl)anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(2-ethoxy-N-tosyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NN=C2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N4O4S/c1-4-31-22-8-6-5-7-21(22)27(32(29,30)20-11-9-18(2)10-12-20)17-23(28)25-24-19-13-15-26(3)16-14-19/h5-12H,4,13-17H2,1-3H3,(H,25,28)/p+1