N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[methyl(3-pyridinylmethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-4-20(5-2)26(24,25)15-8-9-16(17(11-15)21(22)23)19(3)13-14-7-6-10-18-12-14/h6-12H,4-5,13H2,1-3H3