N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzenesulfonamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzenesulfonamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzenesulfonamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-4-[(1-phenyltetrazol-5-yl)thio]benzenesulfonamide Formula: C19H22N7O5S2+ MolecularWeight: 492.55188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O5S2/c27-26(28)17-14-16(33(29,30)20-8-9-24-10-12-31-13-11-24)6-7-18(17)32-19-21-22-23-25(19)15-4-2-1-3-5-15/h1-7,14,20H,8-13H2/p+1