4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol

Systemtic Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol Openeye Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol CAS Name: 4-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]phenol Traditional Name: 4-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]phenol Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c25-17-5-3-16(4-6-17)21-11-13-22(14-12-21)19-8-7-18(15-20(19)24(26)27)30(28,29)23-9-1-2-10-23/h3-8,15,25H,1-2,9-14H2