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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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