1-[4-[4-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-[(5-bromo-2-thienyl)sulfonyl]nipecotoyl]piperazino]phenyl]ethanone Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-16(27)17-4-6-19(7-5-17)24-11-13-25(14-12-24)22(28)18-3-2-10-26(15-18)32(29,30)21-9-8-20(23)31-21/h4-9,18H,2-3,10-15H2,1H3