butyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzoate

Systemtic Name: butyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzoate Openeye Name: butyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]benzoate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]benzoic acid butyl ester IUPAC Name: butyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]benzoate Traditional Name: 4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]benzoic acid butyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-3-4-15-31-22(26)17-5-7-18(8-6-17)32-21-10-9-19(16-20(21)25(27)28)33(29,30)24-13-11-23(2)12-14-24/h5-10,16H,3-4,11-15H2,1-2H3