2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(4-phenoxyphenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-4-phenoxy-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5S/c1-30(26,27)24(17-21(25)22-11-12-23-13-15-28-16-14-23)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)/p+1