4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-(4-piperonylpiperazino)phenyl]sulfonylmorpholine Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H26N4O7S/c27-26(28)18-2-3-19(22(14-18)34(29,30)25-9-11-31-12-10-25)24-7-5-23(6-8-24)15-17-1-4-20-21(13-17)33-16-32-20/h1-4,13-14H,5-12,15-16H2