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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

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