N,N-diethyl-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC=CC=C2)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C2=CC=CC=C2)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-4-25(5-2)31(29,30)17-11-12-18(19(15-17)26(27)28)23-20(16-9-7-6-8-10-16)21-22-13-14-24(21)3/h6-15,20,23H,4-5H2,1-3H3