N-[(E,1R,4S)-2-bromanyl-4-(2-methoxyethoxymethoxy)-1-phenyl-pent-2-enyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(E,1R,4S)-2-bromanyl-4-(2-methoxyethoxymethoxy)-1-phenyl-pent-2-enyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(E,1R,4S)-2-bromo-4-(2-methoxyethoxymethoxy)-1-phenyl-pent-2-enyl]-4-nitro-benzenesulfonamide CAS Name: N-[(E,1R,4S)-2-bromo-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(E,1R,4S)-2-bromo-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(E,1R,4S)-2-bromo-4-(2-methoxyethoxymethoxy)-1-phenyl-pent-2-enyl]-4-nitro-benzenesulfonamide Formula: C21H25BrN2O7S MolecularWeight: 529.4014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)OCOCCOC

Isomeric SMILES

C[C@@H](/C=C(\[C@@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/Br)OCOCCOC

InChI

InChI=1S/C21H25BrN2O7S/c1-16(31-15-30-13-12-29-2)14-20(22)21(17-6-4-3-5-7-17)23-32(27,28)19-10-8-18(9-11-19)24(25)26/h3-11,14,16,21,23H,12-13,15H2,1-2H3/b20-14+/t16-,21+/m0/s1