3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzenecarbonitrile

Systemtic Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzenecarbonitrile Openeye Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzonitrile CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzonitrile IUPAC Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzonitrile Traditional Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzonitrile Formula: C14H9ClN2O4S MolecularWeight: 336.75026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CC2=C(C=CC(=C2)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O4S/c15-12-2-4-13(5-3-12)22(20,21)9-11-7-10(8-16)1-6-14(11)17(18)19/h1-7H,9H2