2-cyclohept-4-en-1-ylidene-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride

Systemtic Name: 2-cyclohept-4-en-1-ylidene-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride Openeye Name: 2-cyclohept-4-en-1-ylidene-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride CAS Name: 2-(1-cyclohept-4-enylidene)-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride IUPAC Name: 2-cyclohept-4-en-1-ylidene-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride Traditional Name: 2-cyclohept-4-en-1-ylidene-1-[2-(sulfonylamino)ethyl]piperidine; nitrobenzene; hydrochloride Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=C2CCC=CCC2)C1)CCN=S(=O)=O.C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(C(=C2CCC=CCC2)C1)CCN=S(=O)=O.C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H22N2O2S.C6H5NO2.ClH/c17-19(18)15-10-12-16-11-6-5-9-14(16)13-7-3-1-2-4-8-13;8-7(9)6-4-2-1-3-5-6;/h1-2H,3-12H2;1-5H;1H