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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Formula: C21H34N3O5S+ MolecularWeight: 440.57676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5S/c1-28-20-8-7-18(17-19(20)21(25)24-11-4-2-3-5-12-24)30(26,27)22-9-6-10-23-13-15-29-16-14-23/h7-8,17,22H,2-6,9-16H2,1H3/p+1