2-[(2,5-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[2,5-dimethoxy-N-(p-tolylsulfonyl)anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(2,5-dimethoxy-N-tosyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C23H32N3O6S+ MolecularWeight: 478.58168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H31N3O6S/c1-18-4-7-20(8-5-18)33(28,29)26(21-16-19(30-2)6-9-22(21)31-3)17-23(27)24-10-11-25-12-14-32-15-13-25/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+1