N-(2-bromanyl-4-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C18H19BrN4O5S MolecularWeight: 483.33626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19BrN4O5S/c19-16-12-14(23(25)26)6-7-17(16)20-18(24)13-21-8-10-22(11-9-21)29(27,28)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)