1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-4-phenyl-phthalazine

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-4-phenyl-phthalazine Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-4-phenyl-phthalazine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-4-phenylphthalazine IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-4-phenylphthalazine Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-4-phenyl-phthalazine Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c29-28(30)21-16-18(34(31,32)27-14-6-7-15-27)12-13-22(21)33-24-20-11-5-4-10-19(20)23(25-26-24)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2