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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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