4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid CAS Name: 4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(4-cyanophenyl)sulfonylmethyl]benzoic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H11NO4S/c16-9-11-3-7-14(8-4-11)21(19,20)10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H,17,18)