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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4,5-bis(chloranyl)-2-methyl-phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dichloro-2-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4,5-dichloro-2-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C19H20Cl2N2O4S MolecularWeight: 443.3441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O4S/c1-13-8-15(20)16(21)10-19(13)28(24,25)23-6-4-22(5-7-23)11-14-2-3-17-18(9-14)27-12-26-17/h2-3,8-10H,4-7,11-12H2,1H3