3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: 3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: 3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(tetrazol-1-yl)benzenesulfonamide Formula: C14H21N6O3S+ MolecularWeight: 353.41994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCOCC2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCOCC2)N3C=NN=N3

InChI

InChI=1S/C14H20N6O3S/c1-12-10-13(2-3-14(12)20-11-15-17-18-20)24(21,22)16-4-5-19-6-8-23-9-7-19/h2-3,10-11,16H,4-9H2,1H3/p+1