(4-morpholin-4-ylsulfonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl) 4-nitrobenzoate Openeye Name: (4-morpholinosulfonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-morpholinosulfonylphenyl) ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c20-17(13-1-3-14(4-2-13)19(21)22)26-15-5-7-16(8-6-15)27(23,24)18-9-11-25-12-10-18/h1-8H,9-12H2