1-[3-nitro-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-(4-tetralin-6-ylsulfonylpiperazin-1-yl)phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-tetralin-6-ylsulfonylpiperazino)phenyl]ethanone Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-16(26)18-7-9-21(22(15-18)25(27)28)23-10-12-24(13-11-23)31(29,30)20-8-6-17-4-2-3-5-19(17)14-20/h6-9,14-15H,2-5,10-13H2,1H3