1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-nosyl-4-piperonyl-piperazine Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c22-21(23)15-2-4-16(5-3-15)28(24,25)20-9-7-19(8-10-20)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2