N,N-diethyl-3-nitro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2-phenylthiazol-4-yl)methoxy]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2-phenyl-4-thiazolyl)methoxy]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(2-phenylthiazol-4-yl)methoxy]benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S2/c1-3-22(4-2)30(26,27)17-10-11-19(18(12-17)23(24)25)28-13-16-14-29-20(21-16)15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3