1-[4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-nitro-phenyl]ethanone Formula: C16H16BrN3O5S2 MolecularWeight: 474.34934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrN3O5S2/c1-11(21)12-2-3-13(14(10-12)20(22)23)18-6-8-19(9-7-18)27(24,25)16-5-4-15(17)26-16/h2-5,10H,6-9H2,1H3