2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[5-chloro-2-methoxy-N-(p-tolylsulfonyl)anilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-tosyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C23H31ClN3O5S+ MolecularWeight: 497.02734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C23H30ClN3O5S/c1-18-4-7-20(8-5-18)33(29,30)27(21-16-19(24)6-9-22(21)31-2)17-23(28)25-10-3-11-26-12-14-32-15-13-26/h4-9,16H,3,10-15,17H2,1-2H3,(H,25,28)/p+1