methyl 6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]hexanoate

Systemtic Name: methyl 6-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]hexanoate Openeye Name: methyl 6-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]hexanoate CAS Name: 6-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]hexanoate Traditional Name: 6-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]hexanoic acid methyl ester Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c1-20-10-12-21(13-11-20)29(26,27)15-7-8-16(17(14-15)22(24)25)19-9-5-3-4-6-18(23)28-2/h7-8,14,19H,3-6,9-13H2,1-2H3