[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C19H20BrN3O6S MolecularWeight: 498.3476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O6S/c1-2-29-18-7-6-14(12-17(18)23(25)26)19(24)21-8-10-22(11-9-21)30(27,28)16-5-3-4-15(20)13-16/h3-7,12-13H,2,8-11H2,1H3