2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4,6-bis(chloranyl)phenol

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4,6-bis(chloranyl)phenol Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4,6-dichloro-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-4,6-dichlorophenol IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4,6-dichlorophenol Traditional Name: 2,4-dichloro-6-(4-piperonylpiperazino)sulfonyl-phenol Formula: C18H18Cl2N2O5S MolecularWeight: 445.31692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC(=C4O)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=CC(=C4O)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O5S/c19-13-8-14(20)18(23)17(9-13)28(24,25)22-5-3-21(4-6-22)10-12-1-2-15-16(7-12)27-11-26-15/h1-2,7-9,23H,3-6,10-11H2