methyl 6-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]hexanoate

Systemtic Name: methyl 6-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]hexanoate Openeye Name: methyl 6-[2-nitro-4-(1-piperidylsulfonyl)anilino]hexanoate CAS Name: 6-[2-nitro-4-(1-piperidinylsulfonyl)anilino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2-nitro-4-piperidin-1-ylsulfonylanilino)hexanoate Traditional Name: 6-(2-nitro-4-piperidinosulfonyl-anilino)hexanoic acid methyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-27-18(22)8-4-2-5-11-19-16-10-9-15(14-17(16)21(23)24)28(25,26)20-12-6-3-7-13-20/h9-10,14,19H,2-8,11-13H2,1H3