3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: 3-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: 3-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-(tetrazol-1-yl)benzenesulfonamide Formula: C15H23N6O4S+ MolecularWeight: 383.44592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)NCCC[NH+]2CCOCC2)N3C=NN=N3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)NCCC[NH+]2CCOCC2)N3C=NN=N3

InChI

InChI=1S/C15H22N6O4S/c1-24-15-11-13(3-4-14(15)21-12-16-18-19-21)26(22,23)17-5-2-6-20-7-9-25-10-8-20/h3-4,11-12,17H,2,5-10H2,1H3/p+1