N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(benzofurazan-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H24N4O4S/c1-27-17-7-9-18(10-8-17)29(25,26)21-12-15-4-3-11-24(13-15)14-16-5-2-6-19-20(16)23-28-22-19/h2,5-10,15,21H,3-4,11-14H2,1H3/p+1/t15-/m1/s1