2-[(2-ethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(2-ethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(2-ethyl-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(2-ethyl-N-mesyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O4S/c1-3-16-7-4-5-8-17(16)21(26(2,23)24)15-18(22)19-9-6-10-20-11-13-25-14-12-20/h4-5,7-8H,3,6,9-15H2,1-2H3,(H,19,22)/p+1