2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C23H26N6O5S MolecularWeight: 498.55474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c30-23-18-5-1-2-6-19(18)24-22(25-23)16-26-11-13-27(14-12-26)20-8-7-17(15-21(20)29(31)32)35(33,34)28-9-3-4-10-28/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,25,30)