N,N-diethyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4S/c1-3-24(4-2)30(28,29)16-6-7-17(18(11-16)25(26)27)21-12-15-5-8-19(22-13-15)23-10-9-20-14-23/h5-11,13-14,21H,3-4,12H2,1-2H3