methyl 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanoate Openeye Name: methyl 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]acetate CAS Name: 2-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]acetate Traditional Name: 2-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]phenyl]acetic acid methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-21-9-11-22(12-10-21)31(27,28)17-7-8-19(18(14-17)23(25)26)30-16-5-3-15(4-6-16)13-20(24)29-2/h3-8,14H,9-13H2,1-2H3