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

Systemtic Name: methyl 6-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]hexanoate Openeye Name: methyl 6-(2-morpholinosulfonyl-4-nitro-anilino)hexanoate CAS Name: 6-[2-(4-morpholinylsulfonyl)-4-nitroanilino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2-morpholin-4-ylsulfonyl-4-nitroanilino)hexanoate Traditional Name: 6-(2-morpholinosulfonyl-4-nitro-anilino)hexanoic acid methyl ester Formula: C17H25N3O7S MolecularWeight: 415.4613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H25N3O7S/c1-26-17(21)5-3-2-4-8-18-15-7-6-14(20(22)23)13-16(15)28(24,25)19-9-11-27-12-10-19/h6-7,13,18H,2-5,8-12H2,1H3