1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-piperonyl-piperazine Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c28-27(29)21-15-19(34(30,31)26-8-2-1-3-9-26)5-6-20(21)25-12-10-24(11-13-25)16-18-4-7-22-23(14-18)33-17-32-22/h4-7,14-15H,1-3,8-13,16-17H2