N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-N-piperonyl-acetamide Formula: C18H20BrN3O5S2 MolecularWeight: 502.4025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H20BrN3O5S2/c19-16-3-4-18(28-16)29(24,25)22-7-5-21(6-8-22)11-17(23)20-10-13-1-2-14-15(9-13)27-12-26-14/h1-4,9H,5-8,10-12H2,(H,20,23)