(4-acetamidonaphthalen-1-yl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6S/c1-11(22)20-16-8-9-18(14-5-3-2-4-13(14)16)27-28(25,26)12-6-7-15(19)17(10-12)21(23)24/h2-10H,1H3,(H,20,22)