2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-2-methyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O4S/c1-14-15(18)5-3-6-16(14)21(26(2,23)24)13-17(22)19-7-4-8-20-9-11-25-12-10-20/h3,5-6H,4,7-13H2,1-2H3,(H,19,22)/p+1