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

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-(4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O4S/c1-26(23,24)21(16-6-4-15(18)5-7-16)9-2-3-17(22)19-8-10-20-11-13-25-14-12-20/h4-7H,2-3,8-14H2,1H3,(H,19,22)/p+1