methyl 5-nitro-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-(4-tetralin-6-ylsulfonylpiperazin-1-yl)benzoate CAS Name: 5-nitro-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzoate Traditional Name: 5-nitro-2-(4-tetralin-6-ylsulfonylpiperazino)benzoic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-31-22(26)20-15-18(25(27)28)7-9-21(20)23-10-12-24(13-11-23)32(29,30)19-8-6-16-4-2-3-5-17(16)14-19/h6-9,14-15H,2-5,10-13H2,1H3