3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCOCC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCOCC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O5S/c1-27-19-7-6-17(16-18(19)20(24)23-9-4-2-3-5-10-23)29(25,26)21-8-11-22-12-14-28-15-13-22/h6-7,16,21H,2-5,8-15H2,1H3/p+1