1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-phenyl-butan-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-phenyl-1-butanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-phenyl-butan-1-one Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O3S2/c1-14(15-5-3-2-4-6-15)13-17(22)20-9-11-21(12-10-20)26(23,24)18-8-7-16(19)25-18/h2-8,14H,9-13H2,1H3