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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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