1-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazino]sulfonylazepane Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Br)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Br)OCO4

InChI

InChI=1S/C18H26BrN3O4S/c19-16-11-15(12-17-18(16)26-14-25-17)13-20-7-9-22(10-8-20)27(23,24)21-5-3-1-2-4-6-21/h11-12H,1-10,13-14H2