3-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: 3-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: 3-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: 3-methoxy-N-[2-(1-piperidin-1-iumyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: 3-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: 3-methoxy-N-(2-piperidin-1-ium-1-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide Formula: C15H23N6O3S+ MolecularWeight: 367.44652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCCCC2)N3C=NN=N3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCCCC2)N3C=NN=N3

InChI

InChI=1S/C15H22N6O3S/c1-24-15-11-13(5-6-14(15)21-12-16-18-19-21)25(22,23)17-7-10-20-8-3-2-4-9-20/h5-6,11-12,17H,2-4,7-10H2,1H3/p+1