4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O4S/c1-26(23,24)21(16-5-2-4-15(18)14-16)8-3-6-17(22)19-7-9-20-10-12-25-13-11-20/h2,4-5,14H,3,6-13H2,1H3,(H,19,22)/p+1