N,N-diethyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[4-(1-pyrazolylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[4-(pyrazol-1-ylmethyl)benzyl]amino]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)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-3-25(4-2)31(29,30)19-10-11-20(21(14-19)26(27)28)22-15-17-6-8-18(9-7-17)16-24-13-5-12-23-24/h5-14,22H,3-4,15-16H2,1-2H3