2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-14-4-5-16(12-15(14)2)20(25(3,22)23)13-17(21)18-6-7-19-8-10-24-11-9-19/h4-5,12H,6-11,13H2,1-3H3,(H,18,21)/p+1