methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: methyl 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzoate Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-31-22(26)18-7-9-20(21(15-18)25(27)28)23-10-12-24(13-11-23)32(29,30)19-8-6-16-4-2-3-5-17(16)14-19/h2-9,14-15H,10-13H2,1H3