2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[4-[methyl(tosyl)amino]phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O5S/c1-18-3-9-21(10-4-18)31(27,28)24(2)19-5-7-20(8-6-19)30-17-22(26)23-11-12-25-13-15-29-16-14-25/h3-10H,11-17H2,1-2H3,(H,23,26)/p+1