1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-6-chloropyridin-3-yl)sulfonylpiperazine Traditional Name: 1-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-4-piperonyl-piperazine Formula: C17H17BrClN3O4S MolecularWeight: 474.75658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O4S/c18-14-8-13(9-20-17(14)19)27(23,24)22-5-3-21(4-6-22)10-12-1-2-15-16(7-12)26-11-25-15/h1-2,7-9H,3-6,10-11H2