1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-chloroethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-chloroethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-chloroethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-chloroethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-chloroethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-piperonyl-piperazine Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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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)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c21-8-7-16-1-4-18(5-2-16)28(24,25)23-11-9-22(10-12-23)14-17-3-6-19-20(13-17)27-15-26-19/h1-6,13H,7-12,14-15H2