1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methylsulfonyl]piperazine Traditional Name: 1-(3-nitrobenzyl)sulfonyl-4-piperonyl-piperazine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-3-1-2-16(10-17)13-29(25,26)21-8-6-20(7-9-21)12-15-4-5-18-19(11-15)28-14-27-18/h1-5,10-11H,6-9,12-14H2