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

Systemtic Name: methyl 6-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]hexanoate Openeye Name: methyl 6-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)hexanoate CAS Name: 6-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)hexanoate Traditional Name: 6-(2-nitro-4-pyrrolidinosulfonyl-anilino)hexanoic acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-26-17(21)7-3-2-4-10-18-15-9-8-14(13-16(15)20(22)23)27(24,25)19-11-5-6-12-19/h8-9,13,18H,2-7,10-12H2,1H3