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

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Traditional Name: 4-(4-chloro-N-mesyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C18H29ClN3O4S+ MolecularWeight: 418.95856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O4S/c1-27(24,25)22(17-7-5-16(19)6-8-17)11-2-4-18(23)20-9-3-10-21-12-14-26-15-13-21/h5-8H,2-4,9-15H2,1H3,(H,20,23)/p+1