1-azido-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-3-(phenylmethyl)sulfonyl-benzene

Systemtic Name: 1-azido-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-3-(phenylmethyl)sulfonyl-benzene Openeye Name: 1-azido-3-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-5-nitro-benzene CAS Name: 1-azido-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-3-(phenylmethyl)sulfonylbenzene IUPAC Name: 1-azido-3-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitrobenzene Traditional Name: 1-azido-3-benzylsulfonyl-2-[(E)-2-(4-methoxyphenyl)vinyl]-5-nitro-benzene Formula: C22H18N4O5S MolecularWeight: 450.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=C(C=C(C=C2N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H18N4O5S/c1-31-19-10-7-16(8-11-19)9-12-20-21(24-25-23)13-18(26(27)28)14-22(20)32(29,30)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b12-9+