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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxy-anilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(N-besyl-3-chloro-4-methoxy-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C22H29ClN3O5S+ MolecularWeight: 483.00076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O5S/c1-30-21-9-8-18(16-20(21)23)26(32(28,29)19-6-3-2-4-7-19)17-22(27)24-10-5-11-25-12-14-31-15-13-25/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,27)/p+1