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

Systemtic Name: N-[(1S,2S)-2-chloranyl-2-nitro-1-(4-nitrophenyl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-2-chloro-2-nitro-1-(4-nitrophenyl)propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-2-chloro-2-nitro-1-(4-nitrophenyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-2-chloro-2-nitro-1-(4-nitrophenyl)propyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-2-chloro-2-nitro-1-(4-nitrophenyl)propyl]-4-methyl-benzenesulfonamide Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6S/c1-11-3-9-14(10-4-11)27(25,26)18-15(16(2,17)20(23)24)12-5-7-13(8-6-12)19(21)22/h3-10,15,18H,1-2H3/t15-,16+/m0/s1