4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1-cyclohexyltetrazol-5-yl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(1-cyclohexyl-5-tetrazolyl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-cyclohexyltetrazol-5-yl)sulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-cyclohexyltetrazol-5-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H24N6O4S2 MolecularWeight: 440.54026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S2/c1-3-21(4-2)29(26,27)14-10-11-16(15(12-14)23(24)25)28-17-18-19-20-22(17)13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3