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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxy-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-3-chloro-4-methoxy-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H27ClN3O5S+ MolecularWeight: 468.97418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O5S/c1-29-20-8-7-17(15-19(20)22)25(31(27,28)18-5-3-2-4-6-18)16-21(26)23-9-10-24-11-13-30-14-12-24/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1