2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(3,5-dimethyl-N-tosyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S/c1-19-5-7-23(8-6-19)32(29,30)27(22-16-20(2)15-21(3)17-22)18-24(28)25-9-4-10-26-11-13-31-14-12-26/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,25,28)/p+1