1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C21H24F3N5O4S MolecularWeight: 499.50657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24F3N5O4S/c22-21(23,24)16-4-7-20(25-15-16)27-9-3-8-26(12-13-27)18-6-5-17(14-19(18)29(30)31)34(32,33)28-10-1-2-11-28/h4-7,14-15H,1-3,8-13H2