4-[methylsulfonyl(phenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: 4-[methylsulfonyl(phenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-(N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-(N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-(N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-(N-mesylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H27N3O4S/c1-25(22,23)20(16-6-3-2-4-7-16)10-5-8-17(21)18-9-11-19-12-14-24-15-13-19/h2-4,6-7H,5,8-15H2,1H3,(H,18,21)/p+1