1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloranyl-2-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloranyl-2-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-chloro-2-nitro-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C18H18ClN3O6S MolecularWeight: 439.87002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c19-14-2-4-18(15(10-14)22(23)24)29(25,26)21-7-5-20(6-8-21)11-13-1-3-16-17(9-13)28-12-27-16/h1-4,9-10H,5-8,11-12H2