1-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]pyrazole

Systemtic Name: 1-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]pyrazole Openeye Name: 1-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]phenyl]pyrazole CAS Name: 1-[4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]phenyl]pyrazole IUPAC Name: 1-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]phenyl]pyrazole Traditional Name: 1-[4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]phenyl]pyrazole Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c25-24(26)19-14-18(30(27,28)22-11-1-2-12-22)8-9-20(19)29-15-16-4-6-17(7-5-16)23-13-3-10-21-23/h3-10,13-14H,1-2,11-12,15H2