1,3-benzodioxol-5-yl-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]methanone Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c27-22(16-3-6-20-21(13-16)33-15-32-20)24-11-9-23(10-12-24)18-5-4-17(14-19(18)26(28)29)34(30,31)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12,15H2