2-nitro-N-[2-[2-[(E,3S)-3-oxidanylbut-1-enyl]phenyl]ethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-[2-[(E,3S)-3-oxidanylbut-1-enyl]phenyl]ethyl]benzenesulfonamide Openeye Name: N-[2-[2-[(E,3S)-3-hydroxybut-1-enyl]phenyl]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[2-[(E,3S)-3-hydroxybut-1-enyl]phenyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-[(E,3S)-3-hydroxybut-1-enyl]phenyl]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[2-[(E,3S)-3-hydroxybut-1-enyl]phenyl]ethyl]-2-nitro-benzenesulfonamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C[C@@H](/C=C/C1=CC=CC=C1CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C18H20N2O5S/c1-14(21)10-11-15-6-2-3-7-16(15)12-13-19-26(24,25)18-9-5-4-8-17(18)20(22)23/h2-11,14,19,21H,12-13H2,1H3/b11-10+/t14-/m0/s1