[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(5-bromo-2-thienyl)sulfonyl]-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]methanone Traditional Name: [1-[(5-bromo-2-thienyl)sulfonyl]-4-piperidyl]-(4-piperonylpiperazino)methanone Formula: C22H26BrN3O5S2 MolecularWeight: 556.49294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C22H26BrN3O5S2/c23-20-3-4-21(32-20)33(28,29)26-7-5-17(6-8-26)22(27)25-11-9-24(10-12-25)14-16-1-2-18-19(13-16)31-15-30-18/h1-4,13,17H,5-12,14-15H2