N-[(1S,2S)-2-chloranyl-1-(2-fluorophenyl)-2-nitro-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2S)-2-chloranyl-1-(2-fluorophenyl)-2-nitro-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-2-chloro-1-(2-fluorophenyl)-2-nitro-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-2-chloro-1-(2-fluorophenyl)-2-nitropropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-2-chloro-1-(2-fluorophenyl)-2-nitropropyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-2-chloro-1-(2-fluorophenyl)-2-nitro-propyl]-4-methyl-benzenesulfonamide Formula: C16H16ClFN2O4S MolecularWeight: 386.825643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2F)C(C)([N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2F)[C@@](C)([N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClFN2O4S/c1-11-7-9-12(10-8-11)25(23,24)19-15(16(2,17)20(21)22)13-5-3-4-6-14(13)18/h3-10,15,19H,1-2H3/t15-,16+/m0/s1