2-[1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C18H18BrN3O4S2 MolecularWeight: 484.38722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)OC3=CC=CC=C3C#N

InChI

InChI=1S/C18H18BrN3O4S2/c1-13(26-15-5-3-2-4-14(15)12-20)18(23)21-8-10-22(11-9-21)28(24,25)17-7-6-16(19)27-17/h2-7,13H,8-11H2,1H3