3-(phenylsulfonyl)propyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 3-(phenylsulfonyl)propyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 3-(benzenesulfonyl)propyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 3-(benzenesulfonyl)propyl ester IUPAC Name: 3-(benzenesulfonyl)propyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 3-besylpropyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCCCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCCCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-19(2)16-10-9-14(13-17(16)20(22)23)18(21)26-11-6-12-27(24,25)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3