cyclohexylmethyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: cyclohexylmethyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: cyclohexylmethyl 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid cyclohexylmethyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

InChI

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