acetamido 4-nitro-2-[[2-(phenylsulfonylmethyl)phenyl]methyl]benzoate

Systemtic Name: acetamido 4-nitro-2-[[2-(phenylsulfonylmethyl)phenyl]methyl]benzoate Openeye Name: acetamido 2-[[2-(benzenesulfonylmethyl)phenyl]methyl]-4-nitro-benzoate CAS Name: 2-[[2-(benzenesulfonylmethyl)phenyl]methyl]-4-nitrobenzoic acid acetamido ester IUPAC Name: acetamido 2-[[2-(benzenesulfonylmethyl)phenyl]methyl]-4-nitrobenzoate Traditional Name: 2-[2-(besylmethyl)benzyl]-4-nitro-benzoic acid acetamido ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O7S/c1-16(26)24-32-23(27)22-12-11-20(25(28)29)14-19(22)13-17-7-5-6-8-18(17)15-33(30,31)21-9-3-2-4-10-21/h2-12,14H,13,15H2,1H3,(H,24,26)