N,N-diethyl-4-[[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(4S)-8-fluorothiochroman-4-yl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(4S)-8-fluorothiochroman-4-yl]amino]-3-nitro-benzenesulfonamide Formula: C19H22FN3O4S2 MolecularWeight: 439.524083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N[C@H]2CCSC3=C2C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN3O4S2/c1-3-22(4-2)29(26,27)13-8-9-17(18(12-13)23(24)25)21-16-10-11-28-19-14(16)6-5-7-15(19)20/h5-9,12,16,21H,3-4,10-11H2,1-2H3/t16-/m0/s1