N,N-diethyl-4-[4-(ethylsulfonylamino)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(ethylsulfonylamino)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(ethylsulfonylamino)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(ethylsulfonylamino)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(ethylsulfonylamino)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(esylamino)piperidino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H28N4O6S2 MolecularWeight: 448.55742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)NS(=O)(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)NS(=O)(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O6S2/c1-4-20(5-2)29(26,27)15-7-8-16(17(13-15)21(22)23)19-11-9-14(10-12-19)18-28(24,25)6-3/h7-8,13-14,18H,4-6,9-12H2,1-3H3