1-[4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]phenyl]azepane

Systemtic Name: 1-[4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]phenyl]azepane Openeye Name: 1-[4-[(E)-2-(4-nitrophenyl)sulfonylvinyl]phenyl]azepane CAS Name: 1-[4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]phenyl]azepane IUPAC Name: 1-[4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]phenyl]azepane Traditional Name: 1-[4-[(E)-2-nosylvinyl]phenyl]azepane Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c23-22(24)19-9-11-20(12-10-19)27(25,26)16-13-17-5-7-18(8-6-17)21-14-3-1-2-4-15-21/h5-13,16H,1-4,14-15H2/b16-13+